13505-34-5
2,6-HEPTANEDIONE
Name
2,6-HEPTANEDIONE
Formula
C7 H12 O2
MolWeight
128.17
1Identification
【Name】
2,6-HEPTANEDIONE
【CAS】
【MDL】
MFCD07437948
【English Synonyms】
【Formula】
C7 H12 O2
【MolWeight】
128.17
【Inchi】
InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3
【InChIKey】
InChIKey=VAIFYHGFLAPCON-UHFFFAOYSA-N
【SMILES】
CC(=O)CCCC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-HEPTANEDIONE.cml
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