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2-benzylcyclopentan-1-one

2-benzylcyclopentan-1-one

CAS: 2867-63-2

Formula: C12H14O

SMILES: O=C1CCCC1CC1=CC=CC=C1

IUPAC: 2-benzylcyclopentan-1-one

InChI: InChI=1/C12H14O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2

Composition: C (82.72%), H (8.10%), O (9.18%)

Molar Mass: 174.243

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 174.104465071
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey TVKMRMXVNWHKTF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.92
Topological Polar Surface Area 17.07
Polarizability 20.74
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 2867-63-2 $69.35-$303.26$69.35$113.85$303.26
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 2867-63-2 $54.05-$87.40$54.05$87.40
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 2867-63-2 $1,760.00-$3,960.00$1,760.00$2,530.00$3,960.00
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