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4-oxo-2-phenylcyclopentane-1-carboxylic acid

4-oxo-2-phenylcyclopentane-1-carboxylic acid

CAS: 85729-34-6

Formula: C12H12O3

SMILES: OC(=O)C1CC(=O)CC1C1=CC=CC=C1

IUPAC: 4-oxo-2-phenylcyclopentane-1-carboxylic acid

InChI: InChI=1/C12H12O3/c13-9-6-10(11(7-9)12(14)15)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2,(H,14,15)

Composition: C (70.58%), H (5.92%), O (23.50%)

Molar Mass: 204.225

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 204.078644246
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MRQNYXGJZLWYHT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.53
Topological Polar Surface Area 54.37
Polarizability 21.24
Ring Count 2
Rotatable Bond Count 2

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97% <2 Days 85729-34-6 $342.70-$5,747.70$342.70$457.70$687.70$917.70$1,587.00$5,747.70
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