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88673-15-8 | Propanedinitrile, (oxidoimino)-
CAS No: 88673-15-8 Catalog No: AG0047OK MDL No:
Product Description
Catalog Number:
AG0047OK
Chemical Name:
Propanedinitrile, (oxidoimino)-
CAS Number:
88673-15-8
Molecular Formula:
C3N3O-
Molecular Weight:
94.0516
IUPAC Name:
(2-cyano-2-nitrosoethenylidene)azanide
InChI:
InChI=1S/C3N3O/c4-1-3(2-5)6-7/q-1
InChI Key:
MQZWZEASIHZHTD-UHFFFAOYSA-N
SMILES:
[O-]N=C(C#N)C#N
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.004g/mol
Formal Charge:
-1
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.053g/mol
Monoisotopic Mass:
94.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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