Cas no 67808-68-8 (2-Thiophenecarboxylic acid, 4-formyl-, methyl ester)

2-Thiophenecarboxylic acid, 4-formyl-, methyl ester structure
67808-68-8 structure
Product Name:2-Thiophenecarboxylic acid, 4-formyl-, methyl ester
CAS No:67808-68-8
MF:C7H6O3S
MW:170.185740947723
CID:394096
PubChem ID:13156396
Update Time:2025-04-19

2-Thiophenecarboxylic acid, 4-formyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 4-formyl-, methyl ester
    • methyl 4-formylthiophene-2-carboxylate
    • DTXSID80522891
    • methyl4-formylthiophene-2-carboxylate
    • ANWBBQDQVAXJJX-UHFFFAOYSA-N
    • SY211912
    • Z1198171054
    • AKOS005138143
    • MFCD06803381
    • BB 0240270
    • EN300-300718
    • 67808-68-8
    • CS-0245176
    • Methyl 4-formyl-2-thiophenecarboxylate
    • 4-Formyl-thiophene-2-carboxylic acid methyl ester
    • MDL: MFCD06803381
    • Inchi: 1S/C7H6O3S/c1-10-7(9)6-2-5(3-8)4-11-6/h2-4H,1H3
    • InChI Key: ANWBBQDQVAXJJX-UHFFFAOYSA-N
    • SMILES: S1C=C(C=O)C=C1C(=O)OC

Computed Properties

  • Exact Mass: 170.00378
  • Monoisotopic Mass: 170.00376522g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 169
  • 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: 1.3
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 292.7±25.0 °C at 760 mmHg
  • Flash Point: 130.8±23.2 °C
  • PSA: 43.37
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-Thiophenecarboxylic acid, 4-formyl-, methyl ester Security Information

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