3-Chloro-5-hexen-2-one

HCID 20152333
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Basic information

CAS
40516-66-3
Standard SMILES
C=CCC(Cl)C(C)=O
InChIKey
BWOJYRZRUDRDIY-UHFFFAOYSA-N
Molecular formula
C6H9ClO
Average molar mass
132.59 g/mol
Monoisotopic mass
132.03419259

Names & identifiers

Preferred name
3-Chloro-5-hexen-2-one
IUPAC
3-chlorohex-5-en-2-one

Names & synonyms

3-chloro-5-hexen-2-one40516-66-33-chlorohex-5-en-2-oneSCHEMBL9746694BWOJYRZRUDRDIY-UHFFFAOYSA-NDTXSID501314269

Database identifiers

CAS
40516-66-3
PubChem CID
20152333
DTXSID
DTXSID501314269

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
8

Related reactions

1 records
New reaction record

Compound notes

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