Cas no 18469-25-5 (Ethyl 4-methoxy-1h-pyrrole-2-carboxylate)

Ethyl 4-methoxy-1h-pyrrole-2-carboxylate structure
18469-25-5 structure
Product Name:Ethyl 4-methoxy-1h-pyrrole-2-carboxylate
CAS No:18469-25-5
MF:C8H11NO3
MW:169.177842378616
CID:907200
PubChem ID:265690
Update Time:2025-04-19

Ethyl 4-methoxy-1h-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-methoxy-1h-pyrrole-2-carboxylate
    • 2-Ethoxycarbonyl-4-methoxy-pyrrol
    • 4-Methoxy-pyrrol-carbonsaeure-(2)-ethylester
    • 4-methoxy-pyrrole-2-carboxylic acid ethyl ester
    • AC1L6EI0
    • AC1Q64H2
    • AG-E-34132
    • AR-1I9264
    • CTK4D8783
    • NSC102017
    • NSC-102017
    • DTXSID10295445
    • DS-011053
    • SCHEMBL14791054
    • 18469-25-5
    • SB63760
    • Inchi: 1S/C8H11NO3/c1-3-12-8(10)7-4-6(11-2)5-9-7/h4-5,9H,3H2,1-2H3
    • InChI Key: KVVUVMZYKUVTRA-UHFFFAOYSA-N
    • SMILES: CCOC(C1NC=C(OC)C=1)=O

Computed Properties

  • Exact Mass: 168.0661
  • Monoisotopic Mass: 169.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 160
  • 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: 1.2
  • Topological Polar Surface Area: 51.3?2

Experimental Properties

  • PSA: 48.42
  • LogP: 1.20000
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