Cas no 597565-52-1 (5-(4-Carboxyphenyl)nicotinic acid)

5-(4-Carboxyphenyl)nicotinic acid structure
597565-52-1 structure
Product Name:5-(4-Carboxyphenyl)nicotinic acid
CAS No:597565-52-1
MF:C13H9NO4
MW:243.214863538742
MDL:MFCD18317340
CID:1024951
PubChem ID:53223190
Update Time:2025-04-20

5-(4-Carboxyphenyl)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(4-Carboxyphenyl)nicotinic acid
    • 5-(4-carboxyphenyl)pyridine-3-carboxylic acid
    • DTXSID60687452
    • MFCD18317340
    • A869125
    • AKOS015999264
    • CS-0209494
    • XYA56552
    • BS-29182
    • 597565-52-1
    • YSZC3291
    • 3-Pyridinecarboxylic acid, 5-(4-carboxyphenyl)-
    • 5-(4-Carboxyphenyl)nicotinicacid
    • MDL: MFCD18317340
    • Inchi: 1S/C13H9NO4/c15-12(16)9-3-1-8(2-4-9)10-5-11(13(17)18)7-14-6-10/h1-7H,(H,15,16)(H,17,18)
    • InChI Key: DGUGZZHMSXYXGM-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1C=NC=C(C(=O)O)C=1)=O

Computed Properties

  • Exact Mass: 243.05300
  • Monoisotopic Mass: 243.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 323
  • 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: 1.5
  • Topological Polar Surface Area: 87.5?2

Experimental Properties

  • PSA: 87.49000
  • LogP: 2.14500

5-(4-Carboxyphenyl)nicotinic acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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