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6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carbonitrile

6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carbonitrile

CAS: 79660-84-7

Formula: C12H13N

SMILES: N#CC1CCC2=CC=CC=C2CC1

IUPAC: 6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carbonitrile

InChI: InChI=1S/C12H13N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-4,10H,5-8H2

Composition: C (84.17%), H (7.65%), N (8.18%)

Molar Mass: 171.243

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.104799423
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VAIMWTWZWWKYJK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.36
Topological Polar Surface Area 23.79
Polarizability 20.51
Ring Count 2
Rotatable Bond Count 0

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97% <2 Days 79660-84-7 $171.35-$3,447.70$171.35$221.95$327.75$516.35$917.70$3,447.70
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