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31055-87-5 | 2-Quinoxalinecarbonitrile, 3,4-dihydro-3-oxo-, 1-oxide
CAS No: 31055-87-5 Catalog No: AG00320F MDL No:
Product Description
Catalog Number:
AG00320F
Chemical Name:
2-Quinoxalinecarbonitrile, 3,4-dihydro-3-oxo-, 1-oxide
CAS Number:
31055-87-5
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
IUPAC Name:
1-oxido-3-oxo-4H-quinoxalin-1-ium-2-carbonitrile
InChI:
InChI=1S/C9H5N3O2/c10-5-8-9(13)11-6-3-1-2-4-7(6)12(8)14/h1-4H,(H,11,13)
InChI Key:
HGHODFAPYLOKNP-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c2c([n+]1[O-])cccc2
NSC Number:
251910
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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