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Home > Other Heterocycles > 1618-16-2
1618-16-2 | Bicyclo[4.1.0]hepta-2,4-diene-7,7-dicarbonitrile
CAS No: 1618-16-2 Catalog No: AG001VX6 MDL No:
Product Description
Catalog Number:
AG001VX6
Chemical Name:
Bicyclo[4.1.0]hepta-2,4-diene-7,7-dicarbonitrile
CAS Number:
1618-16-2
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
IUPAC Name:
bicyclo[4.1.0]hepta-2,4-diene-7,7-dicarbonitrile
InChI:
InChI=1S/C9H6N2/c10-5-9(6-11)7-3-1-2-4-8(7)9/h1-4,7-8H
InChI Key:
SENYQMQDBDBILZ-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C2C1C=CC=C2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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