2-(4-Fluoro-benzylidene)-3-methyl-succinic acid 1-methyl ester

HCID 66775587
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Basic information

Standard SMILES
COC(=O)C(=Cc1ccc(F)cc1)C(C)C(=O)O
InChIKey
HVWHPKKUZCYERX-UHFFFAOYSA-N
Molecular formula
C13H13FO4
Average molar mass
252.24 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL710148HVWHPKKUZCYERX-UHFFFAOYSA-N2-(4-fluoro-benzylidene)-3-methyl-succinic acid 1-methyl ester

Database identifiers

PubChem CID
66775587

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
18

Related reactions

8 records
New reaction record

Linked notes

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