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14152-54-6 | 2-Quinoxalineacetonitrile, 3,4-dihydro-3-oxo-
CAS No: 14152-54-6 Catalog No: AG001GJ1 MDL No:
Product Description
Catalog Number:
AG001GJ1
Chemical Name:
2-Quinoxalineacetonitrile, 3,4-dihydro-3-oxo-
CAS Number:
14152-54-6
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
IUPAC Name:
2-(3-oxo-4H-quinoxalin-2-yl)acetonitrile
InChI:
InChI=1S/C10H7N3O/c11-6-5-9-10(14)13-8-4-2-1-3-7(8)12-9/h1-4H,5H2,(H,13,14)
InChI Key:
FXGNZQSNDABMCN-UHFFFAOYSA-N
SMILES:
N#CCc1nc2ccccc2[nH]c1=O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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