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19994-56-0 | 2-Pyrazinecarbonitrile, 3-amino-6-methyl-, 4-oxide
CAS No: 19994-56-0 Catalog No: AG002CHK MDL No:MFCD00234188
Product Description
Catalog Number:
AG002CHK
Chemical Name:
2-Pyrazinecarbonitrile, 3-amino-6-methyl-, 4-oxide
CAS Number:
19994-56-0
Molecular Formula:
C6H6N4O
Molecular Weight:
150.1380
MDL Number:
MFCD00234188
IUPAC Name:
4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile
InChI:
InChI=1S/C6H6N4O/c1-4-3-10(11)6(8)5(2-7)9-4/h3,8,11H,1H3
InChI Key:
LOUMHCRSPDRZLU-UHFFFAOYSA-N
SMILES:
N#Cc1nc(C)c[n+](c1N)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.141g/mol
Monoisotopic Mass:
150.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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