Benzooxazole-2-carboxylic acid supplier

Name
BENZOOXAZOLE-2-CARBOXYLIC ACID
EINECS 604-604-1
CAS No. 21598-08-3
Article Data9
CAS DataBase
Density 1.455 g/cm³
Solubility
Melting Point 71-72 °C (decomp)
Formula C₈H₅NO₃
Boiling Point 352.742 °C at 760 mmHg
Molecular Weight 163.133
Flash Point 167.133 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1,3-Benzoxazole-2-carboxylic acid;
PSA 63.33000
LogP 1.52600

Benzooxazole-2-carboxylic acid 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 C₈H₅NO₃and 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

Product Name

BENZOOXAZOLE-2-CARBOXYLIC ACID

Benzooxazole-2-carboxylic acid Specification

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