Cas no 280748-43-8 (1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl-)

1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl- structure
280748-43-8 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl-
CAS No:280748-43-8
MF:C7H7NO3
MW:153.135381937027
CID:248290
PubChem ID:9898884
Update Time:2025-04-19

1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl-
    • 5-formyl-4-methyl-1H-pyrrole-2-carboxylic acid
    • AKOS006311335
    • DTXSID50432493
    • SCHEMBL4465333
    • 4-methyl-5-formyl-2-pyrrolecarboxylic acid
    • 280748-43-8
    • KSDGAOCOGSTQKI-UHFFFAOYSA-N
    • 4-methyl -5-formyl-2-pyrrolecarboxylic acid
    • Inchi: 1S/C7H7NO3/c1-4-2-5(7(10)11)8-6(4)3-9/h2-3,8H,1H3,(H,10,11)
    • InChI Key: KSDGAOCOGSTQKI-UHFFFAOYSA-N
    • SMILES: OC(C1=CC(C)=C(C=O)N1)=O

Computed Properties

  • Exact Mass: 152.03478
  • Monoisotopic Mass: 153.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 0.7
  • Topological Polar Surface Area: 70.2?2

Experimental Properties

  • Density: 1.414
  • Boiling Point: 389.6°Cat760mmHg
  • Flash Point: 189.4°C
  • Refractive Index: 1.644
  • PSA: 67.26
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