Cas no 131170-39-3 (3-(1-methylcyclopropyl)benzoic acid)

3-(1-methylcyclopropyl)benzoic acid structure
131170-39-3 structure
Product Name:3-(1-methylcyclopropyl)benzoic acid
CAS No:131170-39-3
MF:C11H12O2
MW:176.211783409119
CID:1227505
PubChem ID:15734146
Update Time:2025-04-20

3-(1-methylcyclopropyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-(1-methylcyclopropyl)-
    • 3-(1-Methylcyclopropyl)benzoic acid
    • 3-(1-methylcyclopropyl)benzoicacid
    • SCHEMBL3941914
    • Z1222425060
    • 131170-39-3
    • AKOS034121843
    • EN300-1142822
    • DB-303691
    • 3-(1-methylcyclopropyl)benzoic acid
    • Inchi： 1S/C11H12O2/c1-11(5-6-11)9-4-2-3-8(7-9)10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
    • InChI Key： FLWNINVYCYHRKV-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=CC(=C1)C1(C)CC1)=O

Computed Properties

  • Exact Mass: 176.08376
  • Monoisotopic Mass: 176.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 218
  • 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: 3.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

3-(1-methylcyclopropyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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