Cas no 65185-06-0 (1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, methyl ester)

1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, methyl ester structure
65185-06-0 structure
Product Name:1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, methyl ester
CAS No:65185-06-0
MF:C8H11NO2
MW:153.178442239761
CID:501438
PubChem ID:12377507
Update Time:2025-04-19

1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, methyl ester
    • Methyl2,3-dimethyl-1H-pyrrole-4-carboxylate
    • 1H-Pyrrole-3-carboxylicacid,4,5-dimethyl-,methylester(9CI)
    • 65185-06-0
    • SCHEMBL9400147
    • Methyl 4,5-dimethyl-1H-pyrrole-3-carboxylate
    • 2,3-dimethyl-1H-pyrrole-4-carboxylic acid methyl ester
    • JXASDTULWFSTGQ-UHFFFAOYSA-N
    • Inchi: 1S/C8H11NO2/c1-5-6(2)9-4-7(5)8(10)11-3/h4,9H,1-3H3
    • InChI Key: JXASDTULWFSTGQ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CNC(C)=C1C)=O

Computed Properties

  • Exact Mass: 153.078978594g/mol
  • Monoisotopic Mass: 153.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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: 42.1?2
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