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13913-71-8 | 2,3-Oxiranedicarbonitrile
CAS No: 13913-71-8 Catalog No: AG001ADH MDL No:
Product Description
Catalog Number:
AG001ADH
Chemical Name:
2,3-Oxiranedicarbonitrile
CAS Number:
13913-71-8
Molecular Formula:
C4H2N2O
Molecular Weight:
94.0715
IUPAC Name:
oxirane-2,3-dicarbonitrile
InChI:
InChI=1S/C4H2N2O/c5-1-3-4(2-6)7-3/h3-4H
InChI Key:
OCNCPWDJFLOERA-UHFFFAOYSA-N
SMILES:
N#CC1OC1C#N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.017g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.073g/mol
Monoisotopic Mass:
94.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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