3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-1-(phenylmethyl)- supplier

Name
1-BENZYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
EINECS
CAS No. 4332-79-0
Article Data5
CAS DataBase
Density 1.355 g/cm³
Solubility
Melting Point 205-207 °C
Formula C₁₃H₁₁NO₃
Boiling Point 443.3 °C at 760 mmHg
Molecular Weight 229.235
Flash Point 221.9 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Nicotinicacid, 1-benzyl-1,6-dihydro-6-oxo- (6CI,7CI,8CI);1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid;
PSA 59.30000
LogP 1.59480

3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-1-(phenylmethyl)- Specification

The CAS registry number of 3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-1-(phenylmethyl)- is 4332-79-0. The systematic name is 1-benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid. In addition, the molecular formula is C₁₃H₁₁NO₃ and the molecular weight is 229.23. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): -0.7; (3)ACD/LogD (pH 7.4): -2.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.643; (13)Molar Refractivity: 61.23 cm³; (14)Molar Volume: 169.1 cm³; (15)Polarizability: 24.27 ×10^-24cm³; (16)Surface Tension: 64.7 dyne/cm; (17)Density: 1.355 g/cm³; (18)Flash Point: 221.9 °C; (19)Enthalpy of Vaporization: 73.87 kJ/mol; (20)Boiling Point: 443.3 °C at 760 mmHg; (21)Vapour Pressure: 1.22E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1=C/N(C(=O)/C=C1)Cc2ccccc2
(2)InChI: InChI=1/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
(3)InChIKey: LDTBMEOGSQFGDK-UHFFFAOYAR

Product Name

1-BENZYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID

3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-1-(phenylmethyl)- Specification

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