3,4-Methylenedioxybenzylidenesuccinic acid

HCID 243789
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Basic information

Standard SMILES
O=C(O)CC(=Cc1ccc2c(c1)OCO2)C(=O)O
InChIKey
ISNFGRZDTWVIBS-UHFFFAOYSA-N
Molecular formula
C12H10O6
Average molar mass
250.2 g/mol

Names & identifiers

Preferred name
3,4-Methylenedioxybenzylidenesuccinic acid
IUPAC
2-(1,3-benzodioxol-5-ylmethylidene)butanedioic acid

Names & synonyms

SCHEMBL7416839ISNFGRZDTWVIBS-UHFFFAOYSA-N3,4-methylenedioxybenzylidenesuccinic acid

Database identifiers

PubChem CID
243789

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
93.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18

Related reactions

1 records
New reaction record

Linked notes

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