Cas no 70647-05-1 (3-Pyridinecarboxylic acid, 4-phenyl-, methyl ester)

3-Pyridinecarboxylic acid, 4-phenyl-, methyl ester structure
70647-05-1 structure
Product Name:3-Pyridinecarboxylic acid, 4-phenyl-, methyl ester
CAS No:70647-05-1
MF:C13H11NO2
MW:213.231943368912
CID:546902
PubChem ID:12482255
Update Time:2025-04-19

3-Pyridinecarboxylic acid, 4-phenyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylic acid, 4-phenyl-, methyl ester
    • methyl 4-phenylpyridine-3-carboxylate
    • SCHEMBL6927417
    • 70647-05-1
    • methyl 4-phenylnicotinate
    • VOXLHHIYDOQDQU-UHFFFAOYSA-N
    • 4-Phenylpyridine-3-carboxylic acid methyl ester
    • DTXSID90499909
    • Inchi: 1S/C13H11NO2/c1-16-13(15)12-9-14-8-7-11(12)10-5-3-2-4-6-10/h2-9H,1H3
    • InChI Key: VOXLHHIYDOQDQU-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=NC=CC=1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 213.07903
  • Monoisotopic Mass: 213.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 236
  • 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: 2.3
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • PSA: 39.19

3-Pyridinecarboxylic acid, 4-phenyl-, methyl ester Pricemore >>

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