Molecular Structure of 2-Cyanopyridine-4-carboxylic acid (CAS NO.161233-97-2):
IUPAC Name: 2-Cyanopyridine-4-carboxylic acid
Molecular Formula: C7H4N2O2
Molecular Weight: 148.12
CAS Registry Number: 161233-97-2
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Index of Refraction: 1.596
Molar Refractivity: 35.39 cm3
Molar Volume: 103.9 cm3
Surface Tension: 78.2 dyne/cm
Density: 1.42 g/cm3
Flash Point: 243.1 °C
Enthalpy of Vaporization: 78.21 kJ/mol
Boiling Point: 478.4 °C at 760 mmHg
Vapour Pressure: 5.83E-10 mmHg at 25 °C
Canonical SMILES: C1=CN=C(C=C1C(=O)O)C#N
InChI: InChI=1S/C7H4N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3H,(H,10,11)
InChIKey: MPSVJNPESHZCIB-UHFFFAOYSA-N
Product Categories: CARBOXYLICACID; NITRILE; PYRIDINE; Pyridine series; Pyridines
2-Cyanopyridine-4-carboxylic acid (CAS NO.161233-97-2), its Synonyms are 4-Pyridinecarboxylicacid, 2-cyano- ; 2-Cyanoisonicotinic acid ; 4-Pyridinecarboxylicacid,2-cyano-(9CI) .
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