Cas no 135329-29-2 (3-(Methyloxy)-2-propylbenzoic acid)

3-(Methyloxy)-2-propylbenzoic acid structure
135329-29-2 structure
Product Name:3-(Methyloxy)-2-propylbenzoic acid
CAS No:135329-29-2
MF:C11H14O3
MW:194.227063655853
CID:2141834
Update Time:2023-08-04

3-(Methyloxy)-2-propylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(methyloxy)-2-propylbenzoic acid
    • UYVQEITXPCUXPW-UHFFFAOYSA-N
    • 3-(Methyloxy)-2-propylbenzoic acid
    • Inchi: 1S/C11H14O3/c1-3-5-8-9(11(12)13)6-4-7-10(8)14-2/h4,6-7H,3,5H2,1-2H3,(H,12,13)
    • InChI Key: UYVQEITXPCUXPW-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC=CC(C(=O)O)=C1CCC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 191
  • Topological Polar Surface Area: 46.5
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