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210366-15-7

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Basic Information
CAS No.: 210366-15-7
Name: 2-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenylMethoxy)-
Article Data: 10
Molecular Structure:
Molecular Structure of 210366-15-7 (2-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenylMethoxy)-)
Formula: C13H11NO4
Molecular Weight: 245.235
Synonyms: 1-(Benzyloxy)-6-oxo-1,6-dihydropyridine-2-carboxylicacid
Density: 1.384 g/cm3
Melting Point: 176-177 °C
Boiling Point: 403.349 °C at 760 mmHg
Flash Point: 197.739 °C
PSA: 68.53000
LogP: 1.17530
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Specification

The CAS registry number of 2-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenylmethoxy)- is 210366-15-7. This chemical's molecular formula is C13H11NO4 and molecular weight is 245.07. What's more, its systematic name is called 1-Benzyloxy-6-oxo-pyridine-2-carboxylic acid.

Physical properties about 2-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenylmethoxy)- are: (1)ACD/LogP: 1.922; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): -1.33; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.77; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 64.105 cm3; (15)Molar Volume: 177.181 cm3; (16)Polarizability: 25.413×10-24cm3; (17)Surface Tension: 63.47 dyne/cm; (18)Density: 1.384 g/cm3; (19)Flash Point: 197.739 °C; (20)Enthalpy of Vaporization: 69.032 kJ/mol; (21)Boiling Point: 403.349 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)\C2=C\C=C/C(=O)N2OCc1ccccc1
(2) InChI: InChI=1S/C13H11NO4/c15-12-8-4-7-11(13(16)17)14(12)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
(3) InChIKey: CIUDQXNWTGQYIC-UHFFFAOYSA-N