6-Hepten-3-one

HCID 137641

Notes Reactions

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Basic information

CAS: 2565-39-1
Standard SMILES: C=CCCC(=O)CC
InChIKey: BSYCQORECWMSQX-UHFFFAOYSA-N
Molecular formula: C7H12O
Average molar mass: 112.17 g/mol
Monoisotopic mass: 112.088815

Names & identifiers

Preferred name: 6-Hepten-3-one
IUPAC: hept-6-en-3-one

Names & synonyms

6-Hepten-3-one2565-39-1DTXSID50180346RefChem:308476DTXCID60102837hept-6-en-3-oneSCHEMBL514235BSYCQORECWMSQX-UHFFFAOYSA-NCAA56539AKOS008127856CS-0253493EN300-64556

Show more names

G44717Z406378308

Database identifiers

CAS: 2565-39-1
PubChem CID: 137641
DTXSID: DTXSID50180346
Nikkaji: J337.773C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 84.4

Related reactions

1 records

New reaction record

HRID 551700As reactantuspto-grants-2011_05

Compound notes

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