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CAS No.: | 38324-83-3 |
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Name: | 2-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H4N2O3 |
Molecular Weight: | 140.1 |
Synonyms: | 2-Oxo-1,2-dihydropyrimidine-5-carboxylic acid; |
EINECS: | 692-709-2 |
Density: | 1.636 g/cm3 |
Melting Point: | >200 °C |
PSA: | 83.31000 |
LogP: | -0.11960 |
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The 2-Hydroxypyrimidine-5-carboxylic acid, with the CAS registry number of 38324-83-3, is also known as 5-pyrimidinecarboxylic acid, 2-hydroxy-. With the molecular formula C5H4N2O3 and molecular weight 140.1, its systematic name is 2-oxo-1H-pyrimidine-5-carboxylic acid. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about the 2-Hydroxypyrimidine-5-carboxylic acid are: (1)ACD/LogP: -1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 78.76 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 31.699 cm3; (15)Molar Volume: 85.618 cm3; (16)Surface Tension: 71.674 dyne/cm; (17)Density: 1.636 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C=1\C=N/C(=O)NC=1
(2) Std. InChI: InChI=1S/C5H4N2O3/c8-4(9)3-1-6-5(10)7-2-3/h1-2H,(H,8,9)(H,6,7,10)
(3) Std. InChIKey: CRCVTNHORFBTSX-UHFFFAOYSA-N