2H-1-Benzopyran-3-carboxylicacid, 8-nitro-2-oxo- supplier

Name
8-NITRO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID
EINECS
CAS No. 82119-78-6
Density 1.689 g/cm³
Solubility
Melting Point
Formula C₁₀H₅NO₆
Boiling Point 472.9 °C at 760 mmHg
Molecular Weight 235.153
Flash Point 239.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-Nitro-2-oxo-2H-chromen-3-carbonsaeure;8-Nitro-2-oxo-2H-chromene-3-carboxylic acid;
PSA 113.33000
LogP 1.92260

2H-1-Benzopyran-3-carboxylicacid, 8-nitro-2-oxo- Specification

The CAS register number of 2H-1-Benzopyran-3-carboxylicacid, 8-nitro-2-oxo- is 82119-78-6. The IUPAC name about this chemical is 8-nitro-2-oxochromene-3-carboxylate. The molecular formula about this chemical is C₁₀H₅NO₆ and the molecular weight is 235.1528.

Physical properties about 2H-1-Benzopyran-3-carboxylicacid, 8-nitro-2-oxo- are: (1)ACD/LogP: 2.14; (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: 7; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 98.42 Å²; (10)Index of Refraction: 1.677; (11)Molar Refractivity: 52.41 cm³; (12)Molar Volume: 139.1 cm³; (13)Polarizability: 20.77x10^-24cm³; (14)Surface Tension: 83.8 dyne/cm; (15)Density: 1.689 g/cm³; (16)Flash Point: 239.8 °C; (17)Enthalpy of Vaporization: 77.52 kJ/mol; (18)Boiling Point: 472.9 °C at 760 mmHg; (19)Vapour Pressure: 9.55E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cccc\1c2OC(=O)/C(=C/1)C(=O)O
(2)InChI: InChI=1/C10H5NO6/c12-9(13)6-4-5-2-1-3-7(11(15)16)8(5)17-10(6)14/h1-4H,(H,12,13)
(3)InChIKey: GZRJTAOIBQPQKZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H5NO6/c12-9(13)6-4-5-2-1-3-7(11(15)16)8(5)17-10(6)14/h1-4H,(H,12,13)
(5)Std. InChIKey: GZRJTAOIBQPQKZ-UHFFFAOYSA-N

Product Name

8-NITRO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID

2H-1-Benzopyran-3-carboxylicacid, 8-nitro-2-oxo- Specification

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