Cas no 160743-81-7 (methyl 5-(3-hydroxypropyl)thiophene-2-carboxylate)

methyl 5-(3-hydroxypropyl)thiophene-2-carboxylate structure
160743-81-7 structure
Product Name:methyl 5-(3-hydroxypropyl)thiophene-2-carboxylate
CAS No:160743-81-7
MF:C9H12O3S
MW:200.254781723022
CID:3804525
PubChem ID:10608090
Update Time:2025-04-22

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

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 5-(3-hydroxypropyl)-, methyl ester
    • methyl 5-(3-hydroxypropyl)thiophene-2-carboxylate
    • SCHEMBL2162296
    • DB-125276
    • KANCLAAJRIEZAJ-UHFFFAOYSA-N
    • EN300-1786051
    • AT45705
    • 160743-81-7
    • Inchi: 1S/C9H12O3S/c1-12-9(11)8-5-4-7(13-8)3-2-6-10/h4-5,10H,2-3,6H2,1H3
    • InChI Key: KANCLAAJRIEZAJ-UHFFFAOYSA-N
    • SMILES: C1(C(OC)=O)SC(CCCO)=CC=1

Computed Properties

  • Exact Mass: 200.05071541Da
  • Monoisotopic Mass: 200.05071541Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 172
  • 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: 1.8
  • Topological Polar Surface Area: 74.8?2

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