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3-Acetoxy-1,3-diphenylpropene

HCID 605877
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)OC(C=Cc1ccccc1)c1ccccc1
InChIKey
UVJZGFKZGQSKDV-UHFFFAOYSA-N
Molecular formula
C17H16O2
Average molar mass
252.31 g/mol

Names & identifiers

Preferred name
3-Acetoxy-1,3-diphenylpropene
IUPAC
1,3-diphenylprop-2-enyl acetate

Names & synonyms

3-acetoxy-1,3-diphenylpropene1,3-diphenylprop-2-enyl acetateSCHEMBL19414341,3-diphenyl-2-propenyl acetateUVJZGFKZGQSKDV-UHFFFAOYSA-Nrac-1,3-diphenyl-2-propenyl acetate(+/-) 1,3-dipheylprop-2-en-1-yl acetate

Database identifiers

PubChem CID
605877

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
296

Related reactions

4 records
New reaction record
HRID 94882 reaction equation
HRID 94882As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 658287 reaction equation
HRID 658287As reactantuspto-grants-2011_12
HRID 674907 reaction equation
HRID 674907As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1517989 reaction equation
HRID 1517989As reactantuspto-grants-2012_07

Compound notes

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