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2-acetyl-3-hydroxy-5-methylcyclohex-2-en-1-one

2-acetyl-3-hydroxy-5-methylcyclohex-2-en-1-one

CAS: 81930-38-3

Formula: C9H12O3

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

IUPAC: 2-acetyl-3-hydroxy-5-methylcyclohex-2-en-1-one

InChI: InChI=1/C9H12O3/c1-5-3-7(11)9(6(2)10)8(12)4-5/h5,11H,3-4H2,1-2H3

Composition: C (64.27%), H (7.19%), O (28.54%)

Molar Mass: 168.192

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 168.078644246
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XSCIJYWQEOUQDC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.56
Topological Polar Surface Area 54.37
Polarizability 17.13
Ring Count 1
Rotatable Bond Count 1

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