2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid supplier

Name
2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid
EINECS 604-604-1
CAS No. 54903-16-1
Article Data11
CAS DataBase
Density 1.563 g/cm³
Solubility
Melting Point 309 - 311 °C
Formula C₈H₅NO₄
Boiling Point
Molecular Weight 179.132
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Benzoxazolecarboxylic acid, 2,3-dihydro-2-oxo-;2-Oxo-2,3-dihydro-benzooxazole-6-carboxylic acid;
PSA 83.30000
LogP 0.81930

2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid Specification

2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid is an organic compound with the formula C₈H₅NO₄, and its systematic name is the same with the product name. With the CAS registry number 54903-16-1, it is also named as 2-Oxo-2,3-dihydro-benzooxazole-6-carboxylic acid. In addition, the molecular weight is 179.13.

Physical properties of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid are: (1)ACD/LogP: 0.542; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.38; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 41.218 cm³; (15)Molar Volume: 114.628 cm³; (16)Polarizability: 16.34×10^-24cm³; (17)Surface Tension: 65.91 dyne/cm; (18)Density: 1.563 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2NC(=O)Oc2c1
(2)Std. InChI: InChI=1S/C8H5NO4/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
(3)Std. InChIKey: BZRKWTCIDCRBMY-UHFFFAOYSA-N

Product Name

2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid

2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid Specification

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