Cas no 67137-59-1 (methyl 5-(3-oxobutyl)thiophene-2-carboxylate)

methyl 5-(3-oxobutyl)thiophene-2-carboxylate structure
67137-59-1 structure
Product Name:methyl 5-(3-oxobutyl)thiophene-2-carboxylate
CAS No:67137-59-1
MF:C10H12O3S
MW:212.265481948853
CID:4127523
PubChem ID:12403319
Update Time:2025-04-24

methyl 5-(3-oxobutyl)thiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 5-(3-oxobutyl)-, methyl ester
    • methyl 5-(3-oxobutyl)thiophene-2-carboxylate
    • 67137-59-1
    • EN300-1786049
    • Inchi: 1S/C10H12O3S/c1-7(11)3-4-8-5-6-9(14-8)10(12)13-2/h5-6H,3-4H2,1-2H3
    • InChI Key: QLIMIRCJLTYRAR-UHFFFAOYSA-N
    • SMILES: C1(C(OC)=O)SC(CCC(=O)C)=CC=1

Computed Properties

  • Exact Mass: 212.05071541Da
  • Monoisotopic Mass: 212.05071541Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 227
  • 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: 1.7
  • Topological Polar Surface Area: 71.6?2

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