2-(4-Fluoro-benzylidene)-succinic acid 1-methyl ester

HCID 67303799
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Basic information

Standard SMILES
COC(=O)C(=Cc1ccc(F)cc1)CC(=O)O
InChIKey
HPFIWXMFHPSTDV-UHFFFAOYSA-N
Molecular formula
C12H11FO4
Average molar mass
238.21 g/mol

Names & identifiers

Preferred name
2-(4-Fluoro-benzylidene)-succinic acid 1-methyl ester
IUPAC
4-(4-fluorophenyl)-3-methoxycarbonylbut-3-enoic acid

Names & synonyms

2-(4-fluoro-benzylidene)-succinic acid 1-methyl esterSCHEMBL2171297HPFIWXMFHPSTDV-UHFFFAOYSA-N

Database identifiers

PubChem CID
67303799

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17

Related reactions

7 records
New reaction record

Linked notes

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