Cas no 13651-57-5 (Benzenemethanol, 2,3-dimethyl-, acetate)

Benzenemethanol, 2,3-dimethyl-, acetate structure
13651-57-5 structure
Product Name:Benzenemethanol, 2,3-dimethyl-, acetate
CAS No:13651-57-5
MF:C11H14O2
MW:178.227663516998
CID:1240737
PubChem ID:12424610
Update Time:2025-04-20

Benzenemethanol, 2,3-dimethyl-, acetate Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 2,3-dimethyl-, acetate
    • DTXSID001272789
    • SCHEMBL3677313
    • 13651-57-5
    • Benzenemethanol, 2,3-dimethyl-, 1-acetate
    • Inchi: 1S/C11H14O2/c1-8-5-4-6-11(9(8)2)7-13-10(3)12/h4-6H,7H2,1-3H3
    • InChI Key: KEJROLABEHJHPE-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)CC1C=CC=C(C)C=1C

Computed Properties

  • Exact Mass: 178.099379685g/mol
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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: 2.3
  • Topological Polar Surface Area: 26.3?2

Benzenemethanol, 2,3-dimethyl-, acetate Related Literature

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