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| CAS No.: | 21598-08-3 |
|---|---|
| Name: | BENZOOXAZOLE-2-CARBOXYLIC ACID |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C8H5NO3 |
| Molecular Weight: | 163.133 |
| Synonyms: | 1,3-Benzoxazole-2-carboxylic acid; |
| EINECS: | 604-604-1 |
| Density: | 1.455 g/cm3 |
| Melting Point: | 71-72 °C (decomp) |
| Boiling Point: | 352.742 °C at 760 mmHg |
| Flash Point: | 167.133 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 63.33000 |
| LogP: | 1.52600 |
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- Total:23 Page 1 of 1 1
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Specification
The CAS register number of Benzooxazole-2-carboxylic acid is 21598-08-3. It also can be called as 2-Benzoxazolecarboxylicacid and the IUPAC name about this chemical is 1,3-benzoxazole-2-carboxylic acid. The molecular formula about this chemical is C8H5NO3 and molecular weight is 163.13. It belongs to the Pharmacetical.
Physical properties about Benzooxazole-2-carboxylic acid are: (1)ACD/LogP: 1.30; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.33Å2; (10)Index of Refraction: 1.661; (11)Molar Refractivity: 41.416 cm3; (12)Molar Volume: 112.097 cm3; (13)Polarizability: 16.419x10-24cm3; (14)Surface Tension: 67.546 dyne/cm; (15)Enthalpy of Vaporization: 63.061 kJ/mol; (16)Boiling Point: 352.742 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)nc(o2)C(=O)O
(2)InChI: InChI=1/C8H5NO3/c10-8(11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H,10,11)
(3)InChIKey: VKPJOERCBNIOLN-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H5NO3/c10-8(11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H,10,11)
(5)Std. InChIKey: VKPJOERCBNIOLN-UHFFFAOYSA-N