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5,7-Dihydroxycoumarin | 2732-18-5

Product name:5,7-Dihydroxycoumarin

CAS No:2732-18-5
MF:C9H6O4
MW:178.1415
MDL:MFCD00488354
CID:43362
PubChem ID:5324654
Introduction
5,7-dihydroxycoumarin is a coumarin isolated from the inflorescence of Macaranga triloba, which has antibacterial activity
Names and Identifiers
  • 5,7-Dihydroxy-2H-chromen-2-one
  • 5,7-Dihydroxy-2H-1-benzopyran-2-one
  • 5,7-dihydroxychromen-2-one
  • 5,7-DIHYDROXYCOUMARIN
  • 5,7-dihydroxy-chromen-2-one
  • 5,7-Dihydroxy-cumarin
  • 5,7-dihydroxyocoumarin
  • Coumarin derivative,1a
  • 2H-1-Benzopyran-2-one, 5,7-dihydroxy-
  • NSC108415
  • 5,7-dihydroxy-coumarin
  • Coumarin derivative, 1a
  • BDBM93216
  • 5,7-bis(oxidanyl)chromen-2-one
  • KIQQFVJHWNCGAU-UHFFFAOYSA-N
  • 5,7-dihydroxy-1-benzopyran-2-one
  • FCH831307
  • SY033827
  • 5,7-dihydroxy-2H-chromen-2-one
  • 5,7-dihydroxychromen-2-one
  • 5,7-Dihydroxy-2H-chromen-2-one
  • 5,7-Dihydroxy-chromen-2-one
  • NSC-108415
  • CS-0103308
  • CHEMBL156000
  • 2732-18-5
  • HY-W072009
  • SCHEMBL1860857
  • 5,7-Dihydroxycoumarin
  • 5 pound not7-Dihydroxy-2H-chromen-2-one
  • A819014
  • PD158402
  • DTXSID80181765
  • MFCD00488354
  • DS-1820
  • EN300-7361732
  • AKOS006228057
  • NSC 108415
  • FT-0659181
  • InChI=1/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11
  • AC-26503
  • AM20040069
  • MDL:MFCD00488354
  • InChIKey:KIQQFVJHWNCGAU-UHFFFAOYSA-N
  • Inchi:1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H
  • SMILES:O1C(C([H])=C([H])C2=C(C([H])=C(C([H])=C12)O[H])O[H])=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 178.02700
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 178.026609
  • Heavy Atom Count: 13
  • Complexity: 248
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 1.2
  • Tautomer Count: 15
  • Surface Charge: 0
  • Topological Polar Surface Area: 66.8

Experimental Properties

  • LogP: 1.20420
  • PSA: 70.67000
  • Refractive Index: 1.689
  • Boiling Point: 506.4℃ at 760 mmHg
  • Flash Point: 216.9 °C
  • Density: 1.563
Customs Data
  • HS CODE:2932209090
  • Customs Data:

    China Customs Code:

    2932209090

    Overview:

    2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Literature
  • 1. β-Cyclodextrin included coumarin derivatives as selective fluorescent sensors for Cu2+ ions in HeLa cells Raihana Imran Khan,Kasi Pitchumani RSC Adv. 2016 6 20269
  • 2. Green synthesis of coumarin derivatives using Br?nsted acidic pyridinium based ionic liquid [MBSPy][HSO4] to control an opportunistic human and a devastating plant pathogenic fungus Macrophomina phaseolina Maliha Uroos,Arshad Javaid,Amina Bashir,Javaria Tariq,Iqra Haider Khan,Sadia Naz,Sameeta Fatima,Misbah Sultan RSC Adv. 2022 12 23963
  • 3. Synthesis of the Mammea coumarins. Part 2. Experiments in the mammea E series and synthesis of mammea E/AC Leslie Crombie,Raymond C. F. Jones,Christopher J. Palmer J. Chem. Soc. Perkin Trans. 1 1987 333
  • 4. 407. Hydroxy-carbonyl compounds. Part XII. 5 : 7-Dihydroxycoumarin. Reginald G. Heyes,Alexander Robertson J. Chem. Soc. 1936 1831
  • 5. Synthesis of the Mammea coumarins. Part 3. The insecticidal coumarins of the mammea E series, mammea D/BB, and a dihydrocoumarin of the mammea C series Leslie Crombie,Raymond C. F. Jones,Christopher J. Palmer J. Chem. Soc. Perkin Trans. 1 1987 345
  • 6. Rearrangement and orientation in citran synthesis. X-Ray crystal structures of (–)-bruceol and a (±)-deoxybruceol derivative Michael J. Begley,Leslie Crombie,David A. Slack,Donald A. Whiting J. Chem. Soc. Perkin Trans. 1 1977 2402
  • 7. Course of the condensation between 5,7-dihydroxycoumarin and citral: a reinvestigation of the constitution of bruceol and deoxybruceol from Eriostemon brucei Michael J. Begley,Leslie Crombie,David A. Slack,Donald A. Whiting J. Chem. Soc. Chem. Commun. 1976 140
  • 8. Genus Spatholobus: a comprehensive review on ethnopharmacology, phytochemistry, pharmacology, and toxicology Yunlu Liu,Qian Xiang,Qi Liang,Jianyou Shi,Jun He Food Funct. 2022 13 7448
  • 9. 438. Experiments on the synthesis of rotenone and its derivatives. Part XVI. The synthesis of abutic acid and its analogues G. W. Holton,G. Parker,Alexander Robertson J. Chem. Soc. 1949 2049
  • 10. Benzodipyrans. Part V. Synthesis of a linear dihydrobenzodipyrandione isolated from dill and of other similar benzodipyrandiones Ashok S. Mujumdar,Ramesh N. Usgaonkar J. Chem. Soc. Perkin Trans. 1 1974 2236
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