Cas no 442563-21-5 (1H-Pyrrole-3-carboxylicacid, 5-formyl-4-methyl-)

1H-Pyrrole-3-carboxylicacid, 5-formyl-4-methyl- structure
442563-21-5 structure
Product Name:1H-Pyrrole-3-carboxylicacid, 5-formyl-4-methyl-
CAS No:442563-21-5
MF:C7H7NO3
MW:153.135381937027
CID:327372
PubChem ID:22135453
Update Time:2025-04-19

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

Names and Identifiers

    • 1H-Pyrrole-3-carboxylicacid, 5-formyl-4-methyl-
    • 1H-Pyrrole-3-carboxylic acid, 5-formyl-4-methyl- (9CI)
    • 5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid
    • EN300-746388
    • SCHEMBL1078596
    • AKOS006302170
    • SY347259
    • 442563-21-5
    • CS-0260172
    • 5-formyl-4-methyl- 1 H-pyrrole-3-carboxylic acid
    • Z1198272435
    • DTXSID90622730
    • MURQTTKMXZHGGP-UHFFFAOYSA-N
    • MFCD10000697
    • Inchi： 1S/C7H7NO3/c1-4-5(7(10)11)2-8-6(4)3-9/h2-3,8H,1H3,(H,10,11)
    • InChI Key： MURQTTKMXZHGGP-UHFFFAOYSA-N
    • SMILES： OC(C1=CNC(C=O)=C1C)=O

Computed Properties

  • Exact Mass: 153.042593085g/mol
  • 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: 0.4
  • Topological Polar Surface Area: 70.2?2

1H-Pyrrole-3-carboxylicacid, 5-formyl-4-methyl- Pricemore >>

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