Synonyms
5- methyl-1,3-cyclohexanedione; CTK4I7322; MFCD00010379 (95%); AC-907/25014355; S-3147; ST2406320; SC-26551; 1,3-Cyclohexanedione,5-methyl-; STK728987; ST50215703;
IUPAC Name
5-methylcyclohexane-1,3-dione;
Molecular Weight
126.155g/mol
Molecular Formula
C7H10O2;
Canonical SMILES
CC1CC(=O)CC(=O)C1;
InChI
InChI=1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3;
InChI Key
DMIIMPQQPXUKOO-UHFFFAOYSA-N;
Complexity
133
Covalently-Bonded Unit Count
1
Exact Mass
126.068g/mol
H-Bond Acceptor
2
Heavy Atom Count
9
Monoisotopic Mass
126.068g/mol
Topological Polar Surface Area
34.1A^2
