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cyclohepta-2,4,6-triene-1-carbonitrile

cyclohepta-2,4,6-triene-1-carbonitrile

CAS: 13612-59-4

Formula: C8H7N

SMILES: N#CC1C=CC=CC=C1

IUPAC: cyclohepta-2,4,6-triene-1-carbonitrile

InChI: InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H

Composition: C (82.02%), H (6.02%), N (11.96%)

Molar Mass: 117.151

Atom Count: 16

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 117.057849229
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LADCKIXFXIKHQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.78
Topological Polar Surface Area 23.79
Polarizability 13.87
Ring Count 1
Rotatable Bond Count 0

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