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4-cyclopentanecarbonylbenzonitrile

4-cyclopentanecarbonylbenzonitrile

CAS: 144979-13-5

Formula: C13H13NO

SMILES: O=C(C1CCCC1)C1=CC=C(C=C1)C#N

IUPAC: 4-cyclopentanecarbonylbenzonitrile

InChI: InChI=1S/C13H13NO/c14-9-10-5-7-12(8-6-10)13(15)11-3-1-2-4-11/h5-8,11H,1-4H2

Composition: C (78.36%), H (6.58%), N (7.03%), O (8.03%)

Molar Mass: 199.253

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.099714043
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UHPMDRGBVWYPHT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.78
Topological Polar Surface Area 40.86
Polarizability 22.53
Ring Count 2
Rotatable Bond Count 2

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95% <5 Days 144979-13-5 $1,200.00-$4,410.00$1,200.00$2,640.00$4,410.00
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