2(1H)-Quinoxalinone,4-oxide supplier

Name
2(1H)-Quinoxalinone, 4-oxide
EINECS
CAS No. 17508-35-9
Article Data10
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₂
Boiling Point 453.6 °C at 760 mmHg
Molecular Weight 162.148
Flash Point 228.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Oxido-1H-quinoxalin-4-ium-2-one;
PSA 58.32000
LogP 0.95660

2(1H)-Quinoxalinone,4-oxide Specification

The 2(1H)-Quinoxalinone,4-oxide, with the CAS registry number of 17508-35-9, is also known as Quinoxalin-2(1H)-one 4-oxide. This chemical's molecular formula is C₈H₆N₂O₂ and molecular weight is 162.1454. What's more, its IUPAC name is 4-Oxido-1H-quinoxalin-4-ium-2-one.

Physical properties about 2(1H)-Quinoxalinone,4-oxide are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.52; (8)ACD/KOC (pH 7.4): 13.15; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.55 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 43.33 cm³; (15)Molar Volume: 117 cm³; (16)Surface Tension: 58.3 dyne/cm; (17)Density: 1.38 g/cm³; (18)Flash Point: 228.2 °C; (19)Enthalpy of Vaporization: 74.05 kJ/mol; (20)Boiling Point: 453.6 °C at 760 mmHg; (21)Vapour Pressure: 7.56E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+]=2c1c(cccc1)NC(=O)C=2
(2) InChI: InChI=1/C8H6N2O2/c11-8-5-10(12)7-4-2-1-3-6(7)9-8/h1-5H,(H,9,11)
(3) InChIKey: XNSYCGZYOOUZKL-UHFFFAOYAE

Product Name

2(1H)-Quinoxalinone, 4-oxide

2(1H)-Quinoxalinone,4-oxide Specification

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