Synonyms
ZINC100019159; AK-76487; TC-121217; 562-46-9; 4,4-Dimethyl-1,3-cyclohexanedione, 98%; Z3773; 1,3-Cyclohexanedione,4,4-dimethyl-; K-9972; GEO-02812; ACMC-209lre;
IUPAC Name
4,4-dimethylcyclohexane-1,3-dione;
Molecular Weight
140.182g/mol
Molecular Formula
C8H12O2;
Canonical SMILES
CC1(CCC(=O)CC1=O)C;
InChI
InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3;
InChI Key
PLGPBTCNKJQJHQ-UHFFFAOYSA-N;
Complexity
180
Covalently-Bonded Unit Count
1
Exact Mass
140.084g/mol
H-Bond Acceptor
2
Heavy Atom Count
10
Monoisotopic Mass
140.084g/mol
Topological Polar Surface Area
34.1A^2
