Hex-3-enyl 2-phenylacetate

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Basic information

CAS: 1824720-88-8
Standard SMILES: CCC=CCCOC(=O)Cc1ccccc1
InChIKey: FJKFIIYSBXHBCT-UHFFFAOYSA-N
Molecular formula: C14H18O2
Average molar mass: 218.29 g/mol
Monoisotopic mass: 218.13067981

Names & identifiers

Preferred name: Hex-3-enyl 2-phenylacetate
IUPAC: hex-3-enyl 2-phenylacetate

Names & synonyms

hex-3-enyl 2-phenylacetatecis-3-HEXENYLPHENYLACETATEHex-3-en-1-yl phenylacetateSCHEMBL872941|cis|-3-Hexenyl phenylacetatecis-3-Hexen-1-yl PhenylacetateDTXSID90866096AKOS028109718

Database identifiers

CAS: 1824720-88-8
PubChem CID: 65287
DTXSID: DTXSID90866096

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 215

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Compound notes

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