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CAS No.: | 45965-36-4 |
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Name: | (4-OXO-4H-PYRIDIN-1-YL)ACETIC ACID |
Molecular Structure: | |
Formula: | C7H7NO3 |
Molecular Weight: | 153.137 |
Synonyms: | 2-(4-Oxohydropyridyl)acetic acid;(4-Oxopyridin-1(4H)-yl)acetic acid;(4-Oxo-1(4H)-pyridinyl)acetic acid; |
Density: | 1.357 g/cm3 |
Boiling Point: | 333.8 °C at 760 mmHg |
Flash Point: | 155.7 °C |
PSA: | 59.30000 |
LogP: | -0.06710 |
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The 1(4H)-Pyridineaceticacid, 4-oxo-, with the CAS registry number 45965-36-4, is also known as (4-Oxo-1(4H)-pyridinyl)acetic acid. This chemical's molecular formula is C7H7NO3 and molecular weight is 153.14. What's more, its systematic name is (4-oxopyridin-1(4H)-yl)acetic acid.
Physical properties of 1(4H)-Pyridineaceticacid, 4-oxo- are: (1)ACD/LogP: -0.59; (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: 2; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 36.85 cm3; (13)Molar Volume: 112.7 cm3; (14)Polarizability: 14.61×10-24cm3; (15)Surface Tension: 56.7 dyne/cm; (16)Density: 1.357 g/cm3; (17)Flash Point: 155.7 °C; (18)Enthalpy of Vaporization: 63.39 kJ/mol; (19)Boiling Point: 333.8 °C at 760 mmHg; (20)Vapour Pressure: 2.55E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN/1/C=C\C(=O)\C=C\1
(2)InChI: InChI=1S/C7H7NO3/c9-6-1-3-8(4-2-6)5-7(10)11/h1-4H,5H2,(H,10,11)
(3)InChIKey: PWCMMIXFOFNOAZ-UHFFFAOYSA-N