Methyl 7-phenyl-5-hydroxy-3-oxo-6-heptenoate

HCID 53740643
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Basic information

Standard SMILES
COC(=O)CC(=O)CC(O)C=Cc1ccccc1
InChIKey
CUHUZWHBAOVDHS-UHFFFAOYSA-N
Molecular formula
C14H16O4
Average molar mass
248.27 g/mol

Names & identifiers

Preferred name
Methyl 7-phenyl-5-hydroxy-3-oxo-6-heptenoate
IUPAC
methyl 5-hydroxy-3-oxo-7-phenylhept-6-enoate

Names & synonyms

SCHEMBL9420583CUHUZWHBAOVDHS-UHFFFAOYSA-Nmethyl 7-phenyl-5-hydroxy-3-oxo-6-heptenoate

Database identifiers

PubChem CID
53740643

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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