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Molecular structure of 6-Phenylnicotinic acid (CAS NO.29051-44-3) is:
Product Name: 6-Phenylnicotinic acid
CAS Registry Number: 29051-44-3
IUPAC Name: 6-phenylpyridine-3-carboxylic Acid
Molecular Weight: 199.20536 [g/mol]
Molecular Formula: C12H9NO2
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 3
Melting Point: 243 °C
Index of Refraction: 1.613
Molar Refractivity: 55.86 cm3
Molar Volume: 160.4 cm3
Surface Tension: 54.9 dyne/cm
Density: 1.241 g/cm3
Flash Point: 188.5 °C
Enthalpy of Vaporization: 67.22 kJ/mol
Boiling Point: 388.1 °C at 760 mmHg
Vapour Pressure: 1.02E-06 mmHg at 25°C
EINECS: 249-386-4
Product Categories: Pyridine series;Carboxylic Acids;Pyridines;Carboxylic Acids
Canonical SMILES: C1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)O
InChI: InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChIKey: DLFLQXUYRFIFOK-UHFFFAOYSA-N
Hazard Note: Harmful
6-Phenylnicotinic acid , its cas register number is 29051-44-3. It also can be called 3-Pyridinecarboxylicacid, 6-phenyl- .