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Ethylmalononitrile

CAS No.:
3696-37-5
Catalog Number:
AG00CH94
Molecular Formula:
C5H6N2
Molecular Weight:
94.1145
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Product Description
Catalog Number:
AG00CH94
Chemical Name:
Ethylmalononitrile
CAS Number:
3696-37-5
Molecular Formula:
C5H6N2
Molecular Weight:
94.1145
MDL Number:
MFCD01715998
IUPAC Name:
2-ethylpropanedinitrile
InChI:
InChI=1S/C5H6N2/c1-2-5(3-6)4-7/h5H,2H2,1H3
InChI Key:
PLKGLZXMDLCSLY-UHFFFAOYSA-N
SMILES:
CCC(C#N)C#N
Properties
Complexity:
115  
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:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties