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2-(3,4-Dihydroxyphenyl)lactic acid | 22681-72-7

Product name:2-(3,4-Dihydroxyphenyl)lactic acid

CAS No:22681-72-7
MF:C9H10O5
MW:198.1727
MDL:MFCD09750417
CID:273806
PubChem ID:152463
Names and Identifiers
  • 2-(3,4-Dihydroxyphenyl)lactic acid
  • alpha-(3,4-dihydroxyphenyl)lactic acid
  • alpha-Dhpla
  • Benzeneacetic acid, alpha,3,4-trihydroxy-alpha-methyl-
  • 2-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
  • Benzeneacetic acid, a,3,4-trihydroxy-a-methyl-
  • Danshensu
  • AC1L48EL
  • AG-E-65004
  • CTK4E9937
  • FT-0688301
  • SureCN1805555
  • SCHEMBL1805555
  • DTXSID00945346
  • AKOS006320838
  • alpha-(3,4-Dihydroxyphenyl)lactic acid
  • Lactic acid, 2-(3,4-dihydroxyphenyl)-
  • NS00123700
  • 2-(3,4-dihydroxyphenyl)-2-hydroxypropanoicacid
  • 22681-72-7
  • MDL:MFCD09750417
  • InChIKey:NDGMYGNFKSMYBB-UHFFFAOYSA-N
  • Inchi:InChI=1S/C9H10O5/c1-9(14,8(12)13)5-2-3-6(10)7(11)4-5/h2-4,10-11,14H,1H3,(H,12,13)
  • SMILES:CC(C1=CC(=C(C=C1)O)O)(C(=O)O)O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 198.05300
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 2
  • Monoisotopic Mass: 198.053
  • Heavy Atom Count: 14
  • Complexity: 229
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 0.3
  • Topological Polar Surface Area: 98A^2

Experimental Properties

  • LogP: 0.38990
  • PSA: 97.99000
  • Refractive Index: 1.649
  • Boiling Point: 480.3±40.0 °C at 760 mmHg
  • Melting Point: No data available
  • Vapor Pressure: No data available
  • Flash Point: 258.4±23.8 °C
  • Solubility: Soluble (110 g/l) (25 º C),
  • Color/Form: Powder
  • Density: 1.540±0.06 g/cm3 (20 ºC 760 Torr),
Security Information
  • Safety Instruction:H303+H313+H333
  • Hazard Statement:H303+H313+H333
  • Warning Statement:P264+P280+P305+P351+P338+P337+P313
  • Storage Condition:Store at 4 ° C, -4 ° C is better
  • Signal Word:warning
Customs Data
  • HS CODE:2942000000
  • Customs Data:

    China Customs Code:

    2942000000
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