Cas no 1181452-05-0 (5-(3-Hydroxyphenyl)nicotinic acid)

5-(3-Hydroxyphenyl)nicotinic acid structure
1181452-05-0 structure
Product Name:5-(3-Hydroxyphenyl)nicotinic acid
CAS No:1181452-05-0
MF:C12H9NO3
MW:215.204763174057
MDL:MFCD11933379
CID:1004333
Update Time:2025-04-20

5-(3-Hydroxyphenyl)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(3-Hydroxyphenyl)nicotinic acid
    • 5-(3-Hydroxyphenyl)-nicotinic acid
    • 5-(3-hydroxyphenyl)pyridine-3-carboxylic acid
    • MDL: MFCD11933379
    • Inchi: 1S/C12H9NO3/c14-11-3-1-2-8(5-11)9-4-10(12(15)16)7-13-6-9/h1-7,14H,(H,15,16)
    • InChI Key: ZFOZRXCJNXHMSX-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC(=C1)C1C=NC=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 215.05800
  • Monoisotopic Mass: 215.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 257
  • 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
  • Topological Polar Surface Area: 70.4A^2

Experimental Properties

  • PSA: 70.42000
  • LogP: 2.15240

5-(3-Hydroxyphenyl)nicotinic acid Pricemore >>

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