Cas no 108293-41-0 (Benzoic acid, 2-formyl-3-methyl-, methyl ester)

Benzoic acid, 2-formyl-3-methyl-, methyl ester structure
108293-41-0 structure
Product Name:Benzoic acid, 2-formyl-3-methyl-, methyl ester
CAS No:108293-41-0
MF:C10H10O3
MW:178.184603214264
CID:3592868
PubChem ID:15187791
Update Time:2025-04-22

Benzoic acid, 2-formyl-3-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-formyl-3-methyl-, methyl ester
    • 2-Formyl-3-methyl-benzoic acid methyl ester
    • 108293-41-0
    • Methyl 2-formyl-3-methylbenzoate
    • Inchi: 1S/C10H10O3/c1-7-4-3-5-8(9(7)6-11)10(12)13-2/h3-6H,1-2H3
    • InChI Key: FJSABEYYENXPBJ-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C1=CC=CC(C)=C1C=O

Computed Properties

  • Exact Mass: 178.062994177Da
  • Monoisotopic Mass: 178.062994177Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 200
  • 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: 1.6
  • Topological Polar Surface Area: 43.4?2
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