Methyl 4-(3,4-methylenedioxyphenyl)butanoate

HCID 529781
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Basic information

Standard SMILES
COC(=O)CCCc1ccc2c(c1)OCO2
InChIKey
VHUABZULWQQCDI-UHFFFAOYSA-N
Molecular formula
C12H14O4
Average molar mass
222.24 g/mol

Names & identifiers

Preferred name
Methyl 4-(3,4-methylenedioxyphenyl)butanoate
IUPAC
methyl 4-(1,3-benzodioxol-5-yl)butanoate

Names & synonyms

Methyl 4-(3,4-methylenedioxyphenyl)butanoate3,4-methylenedioxybenzenebutanoic acid, methyl ester

Database identifiers

PubChem CID
529781
Nikkaji
J2.404.902G

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Related reactions

1 records
New reaction record

Linked notes

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Methyl 4-(3,4-methylenedioxyphenyl)butanoate (HCID 529781)｜Huagongshe