2-Benzo[1,3]dioxol-5-ylmethyl-3-oxo-3-phenylpropionate ethyl ester

HCID 68697476
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Basic information

Standard SMILES
CCOC(=O)C(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1
InChIKey
XLVXWGBCCWMWQP-UHFFFAOYSA-N
Molecular formula
C19H18O5
Average molar mass
326.3 g/mol

Names & identifiers

Preferred name
2-Benzo[1,3]dioxol-5-ylmethyl-3-oxo-3-phenylpropionate ethyl ester
IUPAC
ethyl 2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-3-phenylpropanoate

Names & synonyms

SCHEMBL3572819XLVXWGBCCWMWQP-UHFFFAOYSA-N2-benzo[1,3]dioxol-5-ylmethyl-3-oxo-3-phenylpropionate ethyl ester

Database identifiers

PubChem CID
68697476

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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