(E)-(2S)-6-phenylhex-5-en-3-yn-2-yl acetate

HCID 59552201
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Basic information

Standard SMILES
CC(=O)O[C@@H](C)C#C/C=C/c1ccccc1
InChIKey
KEJGCOUWYPXSNL-VNKGSWCUSA-N
Molecular formula
C14H14O2
Average molar mass
214.26 g/mol

Names & identifiers

Preferred name
(E)-(2S)-6-phenylhex-5-en-3-yn-2-yl acetate
IUPAC
[(E,2S)-6-phenylhex-5-en-3-yn-2-yl] acetate

Names & synonyms

SCHEMBL1614913KEJGCOUWYPXSNL-VNKGSWCUSA-N(E)-(2S)-6-phenylhex-5-en-3-yn-2-yl acetate

Database identifiers

PubChem CID
59552201
Nikkaji
J2.297.196D

Properties

Computed structural properties

XLogP
3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Related reactions

4 records
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Compound notes

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