Synonyms
FT-0614742; 3,5-Heptanedione, 99%; InChI=1/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H; RT-004211; KS-00000NF5; CS-W013466; 3,5-Heptanedione, 97%; M-4998; ACT02985; MCULE-9368471361;
IUPAC Name
heptane-3,5-dione;
Molecular Weight
128.17
Molecular Formula
C7H12O2
Canonical SMILES
CCC(=O)CC(=O)CC;
InChI
InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3;
InChI Key
DGCTVLNZTFDPDJ-UHFFFAOYSA-N;
Boiling Point
183.1 °C at 760 mmHg
Purity
97%
Complexity
102
Covalently-Bonded Unit Count
1
EC Number
231-054-5
Exact Mass
128.084g/mol
H-Bond Acceptor
2
Heavy Atom Count
9
Monoisotopic Mass
128.084g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
34.1A^2
UNII
Q3B558E3VY
