Cas no 339011-93-7 (4-Acetyl-1-methyl-1H-pyrrole-2-carboxylic acid)

4-Acetyl-1-methyl-1H-pyrrole-2-carboxylic acid structure
339011-93-7 structure
Product Name:4-Acetyl-1-methyl-1H-pyrrole-2-carboxylic acid
CAS No:339011-93-7
MF:C8H9NO3
MW:167.161962270737
MDL:MFCD00665069
CID:302023
PubChem ID:2764240
Update Time:2025-04-19

4-Acetyl-1-methyl-1H-pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Acetyl-1-methyl-1H-pyrrole-2-carboxylic acid
    • 1H-Pyrrole-2-carboxylicacid, 4-acetyl-1-methyl-
    • AC1MC9I1
    • AC1Q3YRU
    • acetylmethylpyrrolecarboxylicacid
    • CTK1C1680
    • MolPort-002-345-206
    • SBB088069
    • SureCN2361283
    • 339011-93-7
    • SCHEMBL2361283
    • DTXSID10377371
    • AKOS000118425
    • EN300-15370
    • MFCD00665069
    • 1H-Pyrrole-2-carboxylic acid, 4-acetyl-1-methyl- (9CI)
    • 4-acetyl-1-methyl-1H-pyrrole-2-carboxylic acid, AldrichCPR
    • Z135296094
    • 4-Acetyl-1-methyl-1H-pyrrole-2-carboxylicacid
    • J-514282
    • 4-acetyl-1-methylpyrrole-2-carboxylic acid
    • SB62472
    • CS-0309049
    • 7H-020
    • MDL: MFCD00665069
    • Inchi: 1S/C8H9NO3/c1-5(10)6-3-7(8(11)12)9(2)4-6/h3-4H,1-2H3,(H,11,12)
    • InChI Key: FSBYELBMWQLEOB-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=C(C(=O)O)N(C)C=1

Computed Properties

  • Exact Mass: 167.05827
  • Monoisotopic Mass: 167.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 214
  • 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: 0.2
  • Topological Polar Surface Area: 59.3?2

Experimental Properties

  • PSA: 59.3
  • LogP: 0.92590

4-Acetyl-1-methyl-1H-pyrrole-2-carboxylic acid Pricemore >>

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