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7321-55-3 | Dimethylmalononitrile
CAS No: 7321-55-3 Catalog No: AG003PNE MDL No:MFCD01321253
Product Description
Catalog Number:
AG003PNE
Chemical Name:
Dimethylmalononitrile
CAS Number:
7321-55-3
Molecular Formula:
C5H6N2
Molecular Weight:
94.1145
MDL Number:
MFCD01321253
IUPAC Name:
2,2-dimethylpropanedinitrile
InChI:
InChI=1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
InChI Key:
BCMJJXWXMZYZKN-UHFFFAOYSA-N
SMILES:
N#CC(C#N)(C)C
NSC Number:
86109
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.117g/mol
Monoisotopic Mass:
94.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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