Cas no 4228-66-4 (3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid)

3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid structure
4228-66-4 structure
Product Name:3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid
CAS No:4228-66-4
MF:C9H8O5
MW:196.156823158264
MDL:MFCD08460177
CID:330413
PubChem ID:165198
Update Time:2025-04-19

3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,4-Dihydroxyphenylpyruvic acid
    • 3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid
    • 3-(3,4-Dihydroxyphenyl)pyruvic acid
    • Pyruvicacid, (3,4-dihydroxyphenyl)- (6CI,7CI,8CI)
    • 3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid
    • CHEBI:19891
    • SCHEMBL1331519
    • AKOS015889780
    • A801974
    • 3,4-Dihydroxyphenylacetylformic acid
    • Benzenepropanoic acid, 3,4-dihydroxy-alpha-oxo-
    • DS-17541
    • 4228-66-4
    • DHPPA
    • C04045
    • 3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid #
    • 3-(3,4-Dihydroxyphenyl)-2-oxopropanoicacid
    • Q27109260
    • FT-0655694
    • F15598
    • 3,4-dihydroxyphenyltyruvic acid
    • beta-(3,4-dihydroxylphenyl)pyruvic Acid
    • CS-0157104
    • EN300-1831178
    • 109170-71-0
    • 3,4-dihydroxy-alpha-oxobenzenepropanoic acid
    • A872916
    • 3-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-propanoic acid
    • MFCD08460177
    • Benzenepropanoic acid, 3,4-dihydroxy-.alpha.-oxo-
    • DTXSID70962409
    • 3-(3,4-dihydroxy-phenyl)-2-oxo-propionic acid
    • 4,5-Dihydroxyphenylacetylformic acid
    • DB-135435
    • DTXCID901390217
    • MDL: MFCD08460177
    • Inchi: 1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,10-11H,4H2,(H,13,14)
    • InChI Key: LQQFFJFGLSKYIR-UHFFFAOYSA-N
    • SMILES: OC1=C(C=CC(=C1)CC(C(=O)O)=O)O

Computed Properties

  • Exact Mass: 196.037
  • Monoisotopic Mass: 196.037
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 630
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 94.8A^2

Experimental Properties

  • Density: 1.540±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 190-192 o C (decomposition)
  • Boiling Point: 447.3°C at 760 mmHg
  • Flash Point: 447.3 °C at 760 mmHg
  • Refractive Index: 1.638
  • Solubility: Dissolution (55 g/l) (25 o C),
  • PSA: 94.83000
  • LogP: 0.29400

3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid Security Information

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3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:4228-66-4)3,4-Dihydroxyphenylpyruvic acid
Order Number:A872916
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:37
Price ($):276.0

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Amadis Chemical Company Limited
(CAS:4228-66-4)3,4-Dihydroxyphenylpyruvic acid
A872916
Purity:99%
Quantity:1g
Price ($):276.0
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