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189497-99-2 | 6-Quinoxalinecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-
CAS No: 189497-99-2 Catalog No: AG002DP8 MDL No:MFCD04971957
Product Description
Catalog Number:
AG002DP8
Chemical Name:
6-Quinoxalinecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-
CAS Number:
189497-99-2
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD04971957
IUPAC Name:
2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c12-8-4-10-7-3-5(9(13)14)1-2-6(7)11-8/h1-3,10H,4H2,(H,11,12)(H,13,14)
InChI Key:
USNYVKDHRBGXCZ-UHFFFAOYSA-N
SMILES:
O=C1CNc2c(N1)ccc(c2)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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