3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo- supplier

Name
4-(6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)BUTANOIC ACID
EINECS
CAS No. 42142-70-1
Density 1.528 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀N₂O₆
Boiling Point 496.4 °C at 760 mmHg
Molecular Weight 266.21
Flash Point 254 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(6-Nitro-2-oxo-1, 3-benzoxazol-3(2H)-yl)butanoic acid;
PSA 118.26000
LogP 1.89070

3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo- Specification

The 3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo- has CAS registry number 42142-70-1. This chemical's molecular formula is C₁₁H₁₀N₂O₆ and molecular weight is 266.2069. What's more, its systematic name is called 4-(6-Nitro-2-oxo-1, 3-benzoxazol-3(2H)-yl)butanoic acid.

Physical properties about 3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 101.66 Å²; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 61.2 cm³; (14)Molar Volume: 174.1 cm³; (15)Surface Tension: 69.9 dyne/cm; (16)Density: 1.528 g/cm³; (17)Flash Point: 254 °C; (18)Enthalpy of Vaporization: 80.47 kJ/mol; (19)Boiling Point: 496.4 °C at 760 mmHg; (20)Vapour Pressure: 1.13E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc1c(OC(=O)N1CCCC(=O)O)c2
(2) InChI: InChI=1/C11H10N2O6/c14-10(15)2-1-5-12-8-4-3-7(13(17)18)6-9(8)19-11(12)16/h3-4,6H,1-2,5H2,(H,14,15)
(3) InChIKey: HSELHMHPLWKBID-UHFFFAOYAH

Product Name

4-(6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)BUTANOIC ACID

3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo- Specification

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