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3,3-dimethylcyclopentan-1-one

3,3-dimethylcyclopentan-1-one

CAS: 20500-49-6

Formula: C7H12O

SMILES: CC1(C)CCC(=O)C1

IUPAC: 3,3-dimethylcyclopentan-1-one

InChI: InChI=1S/C7H12O/c1-7(2)4-3-6(8)5-7/h3-5H2,1-2H3

Composition: C (74.95%), H (10.78%), O (14.26%)

Molar Mass: 112.172

Atom Count: 20

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 112.088815006
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JSYAQLZSGHPSJD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.67
Topological Polar Surface Area 17.07
Polarizability 12.97
Ring Count 1
Rotatable Bond Count 0

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