Cas no 7316-64-5 (1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester)

1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester structure
7316-64-5 structure
Product Name:1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester
CAS No:7316-64-5
MF:C12H12O2
MW:188.222483634949
CID:542928
PubChem ID:2753057
Update Time:2025-04-19

1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester
    • methyl 3-methyl-1H-indene-2-carboxylate
    • 3-methyl-1H-indene-2-carboxylic acid methyl ester
    • DTXSID60372957
    • SCHEMBL20444060
    • MFCD01846160
    • F97908
    • 7316-64-5
    • AKOS004907848
    • Inchi: 1S/C12H12O2/c1-8-10-6-4-3-5-9(10)7-11(8)12(13)14-2/h3-6H,7H2,1-2H3
    • InChI Key: VAFIJZGHDGTWFN-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=C(C)C2C=CC=CC=2C1)=O

Computed Properties

  • Exact Mass: 188.08376
  • Monoisotopic Mass: 188.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 278
  • 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: 2.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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