Cas no 67828-37-9 (methyl 2,4-dihydroxyphenylglycolate)

methyl 2,4-dihydroxyphenylglycolate structure
67828-37-9 structure
Product Name:methyl 2,4-dihydroxyphenylglycolate
CAS No:67828-37-9
MF:C9H8O5
MW:196.156823158264
CID:967234
PubChem ID:105721
Update Time:2025-04-19

methyl 2,4-dihydroxyphenylglycolate Chemical and Physical Properties

Names and Identifiers

    • methyl 2,4-dihydroxyphenylglycolate
    • Benzeneacetic acid, 2,4-dihydroxy-alpha-oxo-, methyl ester
    • methyl (2,4-dihydroxyphenyl)(hydroxy)acetate
    • methyl (2,4-dihydroxyphenyl)(oxo)acetate
    • Methyl 2,4-dihydroxybenzoyl carboxylate
    • Benzeneacetic acid, 2,4-dihydroxy-.alpha.-oxo-, methyl ester
    • EINECS 267-260-7
    • DTXSID9070662
    • NS00036198
    • 9D8PWN92ZC
    • Methyl 2,4-dihydroxy-alpha-oxobenzeneacetate
    • 67828-37-9
    • DTTXYTFSERGEPB-UHFFFAOYSA-N
    • Inchi: 1S/C9H8O5/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,10-11H,1H3
    • InChI Key: DTTXYTFSERGEPB-UHFFFAOYSA-N
    • SMILES: OC1C=C(C=CC=1C(C(=O)OC)=O)O

Computed Properties

  • Exact Mass: 198.0528
  • Monoisotopic Mass: 196.037
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 237
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • Density: 1.442
  • Boiling Point: 412.9°C at 760 mmHg
  • Flash Point: 170°C
  • Refractive Index: 1.608
  • PSA: 86.99
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