Name: 3-(2-oxopyridin-1(2H)-yl)propanoic acid
SKU: 68634-48-0

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Basic Information

Molecular Structure:
CAS No.:	68634-48-0
Name:	3-(2-oxopyridin-1(2H)-yl)propanoic acid
Article Data:	5

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	3-(2-oxopyridin-1-yl)propanoic acid;3-(2-Oxopyridin-1(2H)-yl)propanoic acid;
Density:	1.292g/cm³
Boiling Point:	441.5 °C at 760 mmHg
Flash Point:	220.8 °C
PSA:	59.30000
LogP:	0.32300

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Specification

The 2-Oxo-1(2H)-pyridinepropanoic acid, with CAS registry number 68634-48-0, has the systematic name of 3-(2-oxopyridin-1(2H)-yl)propanoic acid. And its IUPAC name is 3-(2-oxopyridin-1-yl)propanoic acid. Besides this, it is also called 1(2H)-pyridinepropanoic acid, 2-oxo-. And the chemical formula of this chemical is C₈H₉NO₃.

Physical properties of 2-Oxo-1(2H)-pyridinepropanoic acid: (1)ACD/LogP: -0.42; (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: 46.61 Å²; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 41.48 cm³; (13)Molar Volume: 129.3 cm³; (14)Polarizability: 16.44×10^-24cm³; (15)Surface Tension: 53.5 dyne/cm; (16)Enthalpy of Vaporization: 76.61 kJ/mol; (17)Vapour Pressure: 5.01E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C\C=C/N1CCC(=O)O
(2)InChI: InChI=1/C8H9NO3/c10-7-3-1-2-5-9(7)6-4-8(11)12/h1-3,5H,4,6H2,(H,11,12)
(3)InChIKey: FGXRKDZZPDMPAQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H9NO3/c10-7-3-1-2-5-9(7)6-4-8(11)12/h1-3,5H,4,6H2,(H,11,12)
(5)Std. InChIKey: FGXRKDZZPDMPAQ-UHFFFAOYSA-N