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

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  • Name 2H-1-Benzopyran-3-carboxylicacid, 8-nitro-2-oxo-
  • EINECSN/A
  • CAS No. 82119-78-6
  • Density1.689 g/cm3
  • PSA113.33000
  • LogP1.92260
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H5NO6
  • Boiling Point472.9 °C at 760 mmHg
  • Molecular Weight235.153
  • Flash Point239.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 82119-78-6 (8-NITRO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID)
  • Hazard SymbolsN/A
  • SynonymsN/A

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

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