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Basic Information
CAS No.: 28082-82-8
Name: 6,7-DIMETHYL-2(1H)-QUINOXALINONE
Molecular Structure:
Molecular Structure of 28082-82-8 (6,7-DIMETHYL-2(1H)-QUINOXALINONE)
Formula: C10H10N2O
Molecular Weight: 174.202
Synonyms: 6,7-Dimethylquinoxalin-2(1H)-one;6,7-Dimethylquinoxalin-2-one;2-Quinoxalinol,6,7-dimethyl- (7CI);2(1H)-quinoxalinone, 6,7-dimethyl-;
Density: 1.23 g/cm3
Boiling Point: 386.7 °C at 760 mmHg
Flash Point: 187.7 °C
PSA: 46.01000
LogP: 1.95220
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Specification

The 2(1H)-Quinoxalinone,6,7-dimethyl-, with the CAS registry number 28082-82-8, has the systematic name of 6,7-dimethylquinoxalin-2(1H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H10N2O.

The characteristics of 2(1H)-Quinoxalinone,6,7-dimethyl- are as followings: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.95; (6)ACD/BCF (pH 7.4): 11.77; (7)ACD/KOC (pH 5.5): 205.43; (8)ACD/KOC (pH 7.4): 202.43; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 50.11 cm3; (15)Molar Volume: 141.4 cm3; (16)Polarizability: 19.86×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 187.7 °C; (20)Enthalpy of Vaporization: 66.05 kJ/mol; (21)Boiling Point: 386.7 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-06 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc2NC(=O)/C=N\c2cc1C
(2)InChI: InChI=1/C10H10N2O/c1-6-3-8-9(4-7(6)2)12-10(13)5-11-8/h3-5H,1-2H3,(H,12,13)
(3)InChIKey: YXHOLYSXLHTIOT-UHFFFAOYAP