3-Pyridinecarboxylicacid, 2-benzoyl- supplier

Name
2-BENZOYLNICOTINIC ACID
EINECS
CAS No. 147779-25-7
Article Data2
CAS DataBase
Density 1.311 g/cm³
Solubility
Melting Point 186-187 °C(Solv: ligroine (8032-32-4); ethyl ether (60-29-7))
Formula C₁₃H₉NO₃
Boiling Point 465.4 °C at 760 mmHg
Molecular Weight 227.22
Flash Point 235.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzoylpyridine-3-carboxylicacid;
PSA 67.26000
LogP 2.01080

3-Pyridinecarboxylicacid, 2-benzoyl- Specification

This chemical is called 3-Pyridinecarboxylicacid, 2-benzoyl-, and its systematic name is 2-benzoylpyridine-3-carboxylic acid. With the molecular formula of C₁₃H₉NO₃, its molecular weight is 227.22. The CAS registry number of this chemical is 147779-25-7.

Other characteristics of the 3-Pyridinecarboxylicacid, 2-benzoyl- can be summarised as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 56.26 Å²; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 61.06 cm³; (13)Molar Volume: 173.3 cm³; (14)Polarizability: 24.2×10^-24cm³; (15)Surface Tension: 60.4 dyne/cm; (16)Density: 1.311 g/cm³; (17)Flash Point: 235.3 °C; (18)Enthalpy of Vaporization: 76.6 kJ/mol; (19)Boiling Point: 465.4 °C at 760 mmHg; (20)Vapour Pressure: 1.84E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ncccc1C(=O)O)c2ccccc2
2.InChI: InChI=1/C13H9NO3/c15-12(9-5-2-1-3-6-9)11-10(13(16)17)7-4-8-14-11/h1-8H,(H,16,17)
3.InChIKey: CUADCEFWXFDKEK-UHFFFAOYAW

Product Name

2-BENZOYLNICOTINIC ACID

3-Pyridinecarboxylicacid, 2-benzoyl- Specification

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