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CAS No.: | 31910-18-6 |
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Name: | 2,3-DIHYDROXY-6-METHOXYQUINOXALINE |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C9H8N2O3 |
Molecular Weight: | 192.174 |
Synonyms: | 2,3-Quinoxalinediol, 6-methoxy- (6CI,8CI);2(1H)-Quinoxalinone,3-hydroxy-6-methoxy- (7CI);6-methoxy-1,4-dihydroquinoxaline-2,3-dione;2,3-quinoxalinediol, 6-methoxy-;2,3-quinoxalinedione, 1,4-dihydro-6-methoxy-;6-methoxy-1,4-dihydroquinoxaline-2,3-dione;6-methoxyquinoxaline-2,3-diol; |
EINECS: | 608-679-0 |
Density: | 1.322 g/cm3 |
Melting Point: | 350 °C |
Boiling Point: | 491.1 °C at 760 mmHg |
Flash Point: | 250.8 °C |
Hazard Symbols: | Xi |
PSA: | 74.95000 |
LogP: | 0.22500 |
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The 2,3-Quinoxalinedione,1,4-dihydro-6-methoxy-, with the CAS registry number 31910-18-6, has the systematic name of 6-methoxy-1,4-dihydroquinoxaline-2,3-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H8N2O3.
The characteristics of 2,3-Quinoxalinedione,1,4-dihydro-6-methoxy- are as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 109.23; (6)ACD/BCF (pH 7.4): 34.33; (7)ACD/KOC (pH 5.5): 969.81; (8)ACD/KOC (pH 7.4): 304.79; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 47.45 cm3; (15)Molar Volume: 145.3 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 250.8 °C; (20)Enthalpy of Vaporization: 78.65 kJ/mol; (21)Boiling Point: 491.1 °C at 760 mmHg; (22)Vapour Pressure: 2.87E-10 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2Nc1c(cc(OC)cc1)NC2=O
(2)InChI: InChI=1/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
(3)InChIKey: CHTYMWBYHAIEOF-UHFFFAOYAM