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1375069-41-2

1375069-41-2 | 6-Quinoxalinecarboxylic acid, 3,4-dihydro-3-oxo-

CAS No: 1375069-41-2 Catalog No: AG0013GA MDL No:MFCD17170910

Product Description

Catalog Number:
AG0013GA
Chemical Name:
6-Quinoxalinecarboxylic acid, 3,4-dihydro-3-oxo-
CAS Number:
1375069-41-2
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD17170910
IUPAC Name:
3-oxo-4H-quinoxaline-6-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-4H,(H,11,12)(H,13,14)
InChI Key:
LGEUOBVKRJATPX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]c(=O)cn2

Properties

Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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