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702669-54-3 | 3-Oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
CAS No: 702669-54-3 Catalog No: AG005KFC MDL No:MFCD03830201
Product Description
Catalog Number:
AG005KFC
Chemical Name:
3-Oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
CAS Number:
702669-54-3
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD03830201
IUPAC Name:
3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,10H,4H2,(H,11,12)(H,13,14)
InChI Key:
KNJZSRZUSLBDSJ-UHFFFAOYSA-N
SMILES:
O=C1CNc2c(N1)cc(cc2)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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