Cas no 1460-46-4 (Benzeneacetic acid, a-cyclopropyl-a-hydroxy-)

Benzeneacetic acid, a-cyclopropyl-a-hydroxy- structure
1460-46-4 structure
Product Name:Benzeneacetic acid, a-cyclopropyl-a-hydroxy-
CAS No:1460-46-4
MF:C11H12O3
MW:192.211183547974
CID:140253
PubChem ID:15093
Update Time:2025-04-19

Benzeneacetic acid, a-cyclopropyl-a-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-cyclopropyl-a-hydroxy-
    • 2-cyclopropyl-2-hydroxy-2-phenylacetic acid
    • α-Cyclopropyl-α-hydroxybenzeneacetic acid
    • α-Cyclopropylmandelic acid
    • α-Phenylcyclopropaneglycolic acid
    • cyclopropyl(hydroxy)phenylacetic acid
    • alpha-Cyclopropyl-alpha-hydroxybenzeneacetic acid
    • alpha-Cyclopropylmandelic acid
    • SCHEMBL2764040
    • BRN 2099019
    • DTXSID10932747
    • MANDELIC ACID, alpha-CYCLOPROPYL-
    • Cyclopropylphenyl glycollic acid
    • 1460-46-4
    • Inchi: 1S/C11H12O3/c12-10(13)11(14,9-6-7-9)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13)
    • InChI Key: APPYFFBRMGXDFO-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)(C1C=CC=CC=1)C1CC1

Computed Properties

  • Exact Mass: 192.07866
  • Monoisotopic Mass: 192.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 229
  • 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: 1.4
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
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