4-Oxo-4-(2,3,4-trimethoxy-phenyl)-butyric acid methyl ester

HCID 44720458
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Basic information

Standard SMILES
COC(=O)CCC(=O)c1ccc(OC)c(OC)c1OC
InChIKey
ICHBIWFQMJITTE-UHFFFAOYSA-N
Molecular formula
C14H18O6
Average molar mass
282.29 g/mol

Names & identifiers

Preferred name
4-Oxo-4-(2,3,4-trimethoxy-phenyl)-butyric acid methyl ester
IUPAC
methyl 4-oxo-4-(2,3,4-trimethoxyphenyl)butanoate

Names & synonyms

SCHEMBL4133074ICHBIWFQMJITTE-UHFFFAOYSA-NAKOS0109092474-Oxo-4-(2,3,4-trimethoxy-phenyl)-butyric acid methyl ester

Database identifiers

PubChem CID
44720458

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
20

Related reactions

6 records
New reaction record

Compound notes

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