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3,5-dimethylcyclohex-2-en-1-one

3,5-dimethylcyclohex-2-en-1-one

CAS: 1123-09-7

Formula: C8H12O

SMILES: CC1CC(C)=CC(=O)C1

IUPAC: 3,5-dimethylcyclohex-2-en-1-one

InChI: InChI=1/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3

Composition: C (77.38%), H (9.74%), O (12.88%)

Molar Mass: 124.183

Atom Count: 21

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 124.088815006
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NOQKKFBBAODEHN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.17
Topological Polar Surface Area 17.07
Polarizability 14.57
Ring Count 1
Rotatable Bond Count 0

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