2,6,6-trimethylcyclohex-2-ene-1,4-dione

2,6,6-trimethylcyclohex-2-ene-1,4-dione

CAS: 1125-21-9

Formula: C9H12O2

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

IUPAC: 2,6,6-trimethylcyclohex-2-ene-1,4-dione

InChI: InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3

Composition: C (71.03%), H (7.95%), O (21.02%)

Molar Mass: 152.193

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	152.083729626
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AYJXHIDNNLJQDT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.39
Topological Polar Surface Area	34.14
Polarizability	16.48
Ring Count	1
Rotatable Bond Count	0

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