Cas no 218138-63-7 (2-(3-cyanophenyl)nicotinic acid)

2-(3-cyanophenyl)nicotinic acid structure
218138-63-7 structure
Product Name:2-(3-cyanophenyl)nicotinic acid
CAS No:218138-63-7
MF:C13H8N2O2
MW:224.214822769165
MDL:MFCD18085995
CID:2104303
PubChem ID:18463423
Update Time:2025-04-21

2-(3-cyanophenyl)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-cyanophenyl)nicotinic acid
    • 2-(3-cyanophenyl)pyridine-3-carboxylic acid
    • KIRZXTAVUYRGSA-UHFFFAOYSA-N
    • SCHEMBL6167433
    • 2-(3'-cyanophenyl)nicotinic acid
    • DB-337593
    • 218138-63-7
    • DTXSID20594092
    • 2-(3-Cyano-phenyl)-nicotinic acid
    • MFCD18085995
    • MDL: MFCD18085995
    • Inchi: 1S/C13H8N2O2/c14-8-9-3-1-4-10(7-9)12-11(13(16)17)5-2-6-15-12/h1-7H,(H,16,17)
    • InChI Key: KIRZXTAVUYRGSA-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CN=C1C1C=CC=C(C#N)C=1)=O

Computed Properties

  • Exact Mass: 224.058577502Da
  • Monoisotopic Mass: 224.058577502Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 334
  • 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: 1.8
  • Topological Polar Surface Area: 74?2

2-(3-cyanophenyl)nicotinic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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