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CAS No.: | 125653-67-0 |
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Name: | 5-HYDROXYPYRIDINE-2-CARBOXYLIC ACID |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H5NO3 |
Molecular Weight: | 246.06 |
Synonyms: | Benzenemethanol,α-(bromomethyl)-4-nitro-,(R)-;5-Hydroxypyridine-2-carboxylique; |
Density: | 1.485 g/cm3 |
Boiling Point: | 514.9 °C at 760 mmHg |
Flash Point: | 265.2 °C |
PSA: | 70.42000 |
LogP: | 0.48540 |
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The Benzenemethanol, α-(bromomethyl)-4-nitro-, (aR)-, with the CAS registry number 125653-67-0, is also known as Acide 5-hydroxypyridine-2-carboxylique. This chemical's molecular formula is C6H5NO3 and molecular weight is 139.11. What's more, its systematic name is 5-Hydroxypyridine-2-carboxylic acid.
Physical properties about Benzenemethanol, α-(bromomethyl)-4-nitro-, (aR)- are: (1)ACD/LogP: 0.08; (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: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 48.42 Å2; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 33.15 cm3; (13)Molar Volume: 93.6 cm3; (14)Polarizability: 13.14×10-24 cm3; (15)Surface Tension: 78.3 dyne/cm; (16)Density: 1.485 g/cm3; (17)Flash Point: 265.2 °C; (18)Enthalpy of Vaporization: 82.83 kJ/mol; (19)Boiling Point: 514.9 °C at 760 mmHg; (20)Vapour Pressure: 1.98E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ncc(O)cc1
(2) InChI: InChI=1/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h1-3,8H,(H,9,10)
(3) InChIKey: CGRRUFNHHQCLDZ-UHFFFAOYAS