Cas no 100004-94-2 (2-(m-Tolyl)isonicotinic acid)

2-(m-Tolyl)isonicotinic acid structure
2-(m-Tolyl)isonicotinic acid structure
Product Name:2-(m-Tolyl)isonicotinic acid
CAS No:100004-94-2
MF:C13H11NO2
MW:213.231943368912
MDL:MFCD14666477
CID:1004635
PubChem ID:13433029
Update Time:2025-04-20

2-(m-Tolyl)isonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(m-Tolyl)isonicotinic acid
    • 2-(3-Methylphenyl)isonicotinic acid
    • 2-(3-Methylphenyl)-isonicotinic acid
    • CS-0033911
    • MFCD14666477
    • 100004-94-2
    • AKOS016008348
    • 2-(m-Tolyl)isonicotinicacid
    • 2-(3-Methylphenyl)pyridine-4-carboxylic acid
    • DTXSID90540647
    • TS-03035
    • DB-364229
    • D94430
    • 4-Pyridinecarboxylic acid, 2-(3-methylphenyl)-
    • MDL： MFCD14666477
    • Inchi： 1S/C13H11NO2/c1-9-3-2-4-10(7-9)12-8-11(13(15)16)5-6-14-12/h2-8H,1H3,(H,15,16)
    • InChI Key： IAIXMJKQOKCRSW-UHFFFAOYSA-N
    • SMILES： OC(C1C=CN=C(C=1)C1C=CC=C(C)C=1)=O

Computed Properties

  • Exact Mass: 213.078978594g/mol
  • Monoisotopic Mass: 213.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 254
  • 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: 2.7
  • Topological Polar Surface Area: 50.2?2

2-(m-Tolyl)isonicotinic acid Pricemore >>

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