Cas no 5693-97-0 (Benzeneacetic acid, a-hydroxy-a-(hydroxymethyl)-)

Benzeneacetic acid, a-hydroxy-a-(hydroxymethyl)- structure
5693-97-0 structure
Product Name:Benzeneacetic acid, a-hydroxy-a-(hydroxymethyl)-
CAS No:5693-97-0
MF:C9H10O4
MW:182.173303127289
CID:373608
PubChem ID:110692
Update Time:2025-04-19

Benzeneacetic acid, a-hydroxy-a-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-hydroxy-a-(hydroxymethyl)-
    • 2-Phenylglyceric acid
    • 2,3-dihydroxy-2-phenylpropanoic acid
    • N-1H-benzimidazol-2-yl-2-phenylcyclopropanecarboxamide
    • 5693-97-0
    • NS00047381
    • EINECS 227-162-7
    • DTXSID90972368
    • SCHEMBL1420815
    • Inchi: 1S/C9H10O4/c10-6-9(13,8(11)12)7-4-2-1-3-5-7/h1-5,10,13H,6H2,(H,11,12)
    • InChI Key: IWEPXSFVSUOTLW-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)(CO)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 182.05790880g/mol
  • Monoisotopic Mass: 182.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 77.8?2
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