Cas no 224295-73-2 (5-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid)

5-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid structure
224295-73-2 structure
Product Name:5-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid
CAS No:224295-73-2
MF:C7H7NO3
MW:153.135381937027
MDL:MFCD12402319
CID:244674
PubChem ID:45082060
Update Time:2025-04-19

5-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid
    • 1H-Pyrrole-2-carboxylic acid, 5-formyl-1-methyl- (9CI)
    • 1H-Pyrrole-2-carboxylicacid, 5-formyl-1-methyl-
    • 5-formyl-1-methylpyrrole-2-carboxylic acid
    • 224295-73-2
    • F83173
    • 5-FORMYL-1-METHYL-1H-PYRROLE-2-CARBOXYLICACID
    • Z1255493265
    • SCHEMBL3494614
    • SB63397
    • CS-0240069
    • DTXSID70665069
    • 1H-Pyrrole-2-carboxylic acid,5-formyl-1-methyl-(9ci)
    • FT-0735271
    • EN300-223939
    • MDL: MFCD12402319
    • Inchi: 1S/C7H7NO3/c1-8-5(4-9)2-3-6(8)7(10)11/h2-4H,1H3,(H,10,11)
    • InChI Key: IRZBYIDEBJVXLK-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=C(C=O)N1C)=O

Computed Properties

  • Exact Mass: 153.04261
  • 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: 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: 0.3
  • Topological Polar Surface Area: 59.3?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 358.1±27.0 °C at 760 mmHg
  • Flash Point: 100.5±25.9 °C
  • PSA: 59.3

5-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid Security Information

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