Cas no 342410-99-5 (Pyrrolo[1,2-a]pyrimidine-7-carboxylicacid)

Pyrrolo[1,2-a]pyrimidine-7-carboxylicacid structure
342410-99-5 structure
Product Name:Pyrrolo[1,2-a]pyrimidine-7-carboxylicacid
CAS No:342410-99-5
MF:C8H6N2O2
MW:162.145441532135
CID:302210
PubChem ID:12365413
Update Time:2025-04-19

Pyrrolo[1,2-a]pyrimidine-7-carboxylicacid Chemical and Physical Properties

Names and Identifiers

    • Pyrrolo[1,2-a]pyrimidine-7-carboxylicacid
    • Pyrrolo[1,2-a]pyrimidine-7-carboxylic acid (9CI)
    • DTXSID40494424
    • pyrrolo[1,2-a]pyrimidine-7-carboxylic acid
    • 342410-99-5
    • Pyrrolo[1,2-a]pyrimidine-7-carboxylic acid(9ci)
    • Inchi: 1S/C8H6N2O2/c11-8(12)6-4-7-9-2-1-3-10(7)5-6/h1-5H,(H,11,12)
    • InChI Key: ZYYBNJMUPCOMMS-UHFFFAOYSA-N
    • SMILES: OC(C1C=C2N=CC=CN2C=1)=O

Computed Properties

  • Exact Mass: 162.04298
  • Monoisotopic Mass: 162.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 196
  • 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: 1.3
  • Topological Polar Surface Area: 54.6?2

Experimental Properties

  • PSA: 54.6
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