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29051-44-3

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Basic Information
CAS No.: 29051-44-3
Name: 6-PHENYLNICOTINIC ACID
Article Data: 27
Molecular Structure:
Molecular Structure of 29051-44-3 (6-PHENYLNICOTINIC ACID)
Formula: C12H9 N O2
Molecular Weight: 199.209
Synonyms: Nicotinicacid, 6-phenyl- (8CI); 2-Phenyl-5-pyridinecarboxylic acid; 6-Phenylnicotinicacid
EINECS: 249-386-4
Density: 1.241g/cm3
Melting Point: 243oC
Boiling Point: 388.1°Cat760mmHg
Flash Point: 188.5°C
PSA: 50.19000
LogP: 2.44680
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Chemistry

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

Safety Profile

Hazard Note: Harmful

Specification

 6-Phenylnicotinic acid , its cas register number is 29051-44-3. It also can be called 3-Pyridinecarboxylicacid, 6-phenyl- .