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6-Methyl-5-hepten-2-one

Catalog Number ACM110930-1
CAS 110-93-0
Structure {[CurrentData.Name]}
IUPAC Name 6-Methylhept-5-en-2-one
Synonyms Sulcatone
Molecular Weight 126.20
Molecular Formula C8H14O
Canonical SMILES CC(=CCCC(=O)C)C
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChI Key UHEPJGULSIKKTP-UHFFFAOYSA-N
Complexity 119
Exact Mass 126.104465066
Heavy Atom Count 9
Monoisotopic Mass 126.104465066
Topological Polar Surface Area 17.1Ų
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