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5,7-二羟基香豆素 | 2732-18-5

5,7-二羟基香豆素
5,7-Dihydroxycoumarin
2732-18-5
C9H6O4
178.1415
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5,7-二羟基香豆素结构式
5324654
简介
5,7-Dihydroxycoumarin 是一种从 Macaranga triloba 的花序中分离出来的香豆素,具有抗菌活性。
名称和标识符
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
别名信息
- 中文别名 -
  • 5,7-二羟基香豆素
  • 特丁磷亚砜
- 英文别名 -
  • 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
物化性质
实验特性
LogP 1.20420
PSA 70.67000
折射率 1.689
沸点 506.4℃ at 760 mmHg
闪点 216.9 °C
密度 1.563
计算特性
精确分子量 178.02700
氢键供体数量 2
氢键受体数量 4
可旋转化学键数量 0
同位素质量 178.026609
重原子数量 13
复杂度 248
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.2
互变异构体数量 15
表面电荷 0
拓扑分子极性表面积 66.8
海关数据
海关编码 2932209090
海关数据

中国海关编码:

2932209090

概述:

2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

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

相关文献
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  • 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
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    Ashok S. Mujumdar,Ramesh N. Usgaonkar J. Chem. Soc. Perkin Trans. 1 1974 2236
专业数据库参考
PubChemId 5324654
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