Cas no 5910-05-4 (methyl 5-formyl-1H-pyrrole-3-carboxylate)

methyl 5-formyl-1H-pyrrole-3-carboxylate structure
5910-05-4 structure
Product Name:methyl 5-formyl-1H-pyrrole-3-carboxylate
CAS No:5910-05-4
MF:C7H7NO3
MW:153.135381937027
MDL:MFCD09991922
CID:949660
PubChem ID:579027
Update Time:2025-04-19

methyl 5-formyl-1H-pyrrole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • METHYL 5‐FORMYLPYRROLE‐3‐CARBOXYLATE
    • 1H-Pyrrole-3-carboxylic acid,5-formyl-,methyl ester
    • 2-formyl-4-methoxycarbonylpyrrole
    • 4-carbomethoxypyrrole-2-carboxaldehyde
    • 5-formyl-pyrrole-3-carboxylic acid methyl ester
    • methyl 2-formyl-1H-4-pyrrolecarboxylate
    • methyl 2-formyl-4-pyrrolcarboxylate
    • methyl 2-formylpyrrole-4-carboxylate
    • Methyl 5-formylpyrrole-3-carboxylate
    • Methyl 5-formylpyrrole-3-carboxylate;
    • methyl 5-formyl-1H-pyrrole-3-carboxylate
    • AKOS006311643
    • D85282
    • MFCD09991922
    • CS-0367104
    • SCHEMBL2406445
    • 5910-05-4
    • 2-formylpyrrole-4-carboxylic acid methyl ester
    • 1H-Pyrrole-3-carboxylic acid, 5-formyl-, methyl ester
    • EN300-118882
    • Methyl 5-formyl-1H-pyrrole-3-carboxylate #
    • (1H)Pyrrole-3-carboxylic acid, 5-formyl-, methyl ester
    • DB-431504
    • AMY19142
    • DTXSID20342151
    • Z1198267233
    • Methyl5-formyl-1H-pyrrole-3-carboxylate
    • MDL： MFCD09991922
    • Inchi： 1S/C7H7NO3/c1-11-7(10)5-2-6(4-9)8-3-5/h2-4,8H,1H3
    • InChI Key： YXBYTBKDUXJEPP-UHFFFAOYSA-N
    • SMILES： O(C)C(C1=CNC(C=O)=C1)=O

Computed Properties

  • Exact Mass: 153.04300
  • Monoisotopic Mass: 153.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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: 0.4
  • Topological Polar Surface Area: 59.2?2

Experimental Properties

  • PSA: 59.16000
  • LogP: 0.61380

methyl 5-formyl-1H-pyrrole-3-carboxylate Pricemore >>

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