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98555-00-1

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Basic Information
CAS No.: 98555-00-1
Name: 7-Amino-2(1H)-quinoxalinone
Article Data: 3
Molecular Structure:
Molecular Structure of 98555-00-1 (7-Amino-2(1H)-quinoxalinone)
Formula: C8H7N3O
Molecular Weight: 161.16
Synonyms: 7-AMINO-2(1H)-QUINOXALINONE;TIMTEC-BB SBB014164;7-AMinoquinoxalin-2(1H)-one
Density: 1.49 g/cm3
PSA: 71.77000
LogP: 1.08650
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Specification

The 7-Amino-2(1H)-quinoxalinone is an organic compound with the formula C8H7N3O. The systematic name of this chemical is 7-aminoquinoxalin-2(1H)-one. With the CAS registry number 98555-00-1, it is also named as 2(1H)-quinoxalinone, 7-amino-.

Physical properties about 7-Amino-2(1H)-quinoxalinone are: (1)ACD/LogP: -0.34; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 35.91 Å2; (6)Index of Refraction: 1.734; (7)Molar Refractivity: 43.18 cm3; (8)Molar Volume: 107.7 cm3; (9)Polarizability: 17.12×10-24cm3; (10)Surface Tension: 65 dyne/cm; (11)Density: 1.49 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1Nc2c(\N=C\1)ccc(N)c2
(2)InChI: InChI=1/C8H7N3O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4H,9H2,(H,11,12)
(3)InChIKey: ZERSLZUCVCYGJX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H7N3O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4H,9H2,(H,11,12)
(5)Std. InChIKey: ZERSLZUCVCYGJX-UHFFFAOYSA-N