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85414-82-0

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Basic Information
CAS No.: 85414-82-0
Name: 2-Quinoxalinecarboxylicacid,3-amino-(9CI)
Article Data: 6
Molecular Structure:
Molecular Structure of 85414-82-0 (2-Quinoxalinecarboxylicacid,3-amino-(9CI))
Formula: C9H7N3O2
Molecular Weight: 189.173
Synonyms: 2-Quinoxalinecarboxylicacid,3-amino- (9CI);
Density: 1.515 g/cm3
Melting Point: 204 °C
Boiling Point: 377.4 °C at 760 mmHg
Flash Point: 182 °C
PSA: 89.10000
LogP: 1.49140
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Specification

The 3-Aminoquinoxaline-2-carboxylic acid, with the CAS registry number 85414-82-0, is also known as 2-Quinoxalinecarboxylic acid, 3-amino-. It belongs to the product category of Aminoacid. This chemical's molecular formula is C9H7N3O2 and molecular weight is 189.1708. What's more, its systematic name is 3-Aminoquinoxaline-2-carboxylic acid.

Physical properties about 3-Aminoquinoxaline-2-carboxylic acid are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): -1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.32 Å2; (13)Index of Refraction: 1.761; (14)Molar Refractivity: 51.44 cm3; (15)Molar Volume: 124.8 cm3; (16)Polarizability: 20.39×10-24 cm3; (17)Surface Tension: 92.7 dyne/cm; (18)Density: 1.515 g/cm3; (19)Flash Point: 182 °C; (20)Enthalpy of Vaporization: 65.94 kJ/mol; (21)Boiling Point: 377.4 °C at 760 mmHg; (22)Vapour Pressure: 2.29E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1nc2ccccc2nc1N
(2) InChI: InChI=1/C9H7N3O2/c10-8-7(9(13)14)11-5-3-1-2-4-6(5)12-8/h1-4H,(H2,10,12)(H,13,14)
(3) InChIKey: WINJFUJIPMQGNL-UHFFFAOYAG