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14178-18-8

Basic Information
CAS No.: 14178-18-8
Name: 3-Pyridinecarboxylicacid, 2-(phenylmethoxy)-
Molecular Structure:
Molecular Structure of 14178-18-8 (3-Pyridinecarboxylicacid, 2-(phenylmethoxy)-)
Formula: C13H11NO3
Molecular Weight: 229.23
Synonyms: Nicotinicacid, 2-(benzyloxy)- (8CI);2-Benzyloxynicotinic acid;
EINECS:
Density: 1.274 g/cm3
Melting Point: 135-136 °C
Boiling Point: 401.6 °C at 760 mmHg
Flash Point: 196.7 °C
Solubility:
Appearance: white solid
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 59.42000
LogP: 2.35880
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Specification

This chemical is called 2-(Phenylmethoxy)-3-pyridinecarboxylic acid, and its systematic name is 2-(benzyloxy)pyridine-3-carboxylic acid. With the molecular formula of C13H11NO3, its molecular weight is 229.23. The CAS registry number of this chemical is 14178-18-8. In additon, this chemical is white solid.

Other characteristics of the 2-(Phenylmethoxy)-3-pyridinecarboxylic acid can be summarised as followings: (1)ACD/LogP: 2.09; (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: 4; (10)Polar Surface Area: 48.42 Å2; (11)Index of Refraction: 1.61; (12)Molar Refractivity: 62.44 cm3; (13)Molar Volume: 179.8 cm3; (14)Polarizability: 24.75×10-24cm3; (15)Surface Tension: 56.1 dyne/cm; (16)Density: 1.274 g/cm3; (17)Flash Point: 196.7 °C; (18)Enthalpy of Vaporization: 68.82 kJ/mol; (19)Boiling Point: 401.6 °C at 760 mmHg; (20)Vapour Pressure: 3.6E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c2cccnc2OCc1ccccc1
2.InChI: InChI=1/C13H11NO3/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
3.InChIKey: FUNQFOUBLCEFIK-UHFFFAOYAF