3-Carbomethoxy-4-(3-methoxyphenyl)-3-butenoic acid

HCID 589607
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Basic information

Standard SMILES
COC(=O)C(=Cc1cccc(OC)c1)CC(=O)O
InChIKey
ZIQIVEIHXZFPPG-UHFFFAOYSA-N
Molecular formula
C13H14O5
Average molar mass
250.25 g/mol

Names & identifiers

Preferred name
3-Carbomethoxy-4-(3-methoxyphenyl)-3-butenoic acid
IUPAC
3-methoxycarbonyl-4-(3-methoxyphenyl)but-3-enoic acid

Names & synonyms

SCHEMBL9023565ZIQIVEIHXZFPPG-UHFFFAOYSA-N3-carbomethoxy-4-(3-methoxyphenyl)-3-butenoic acid

Database identifiers

PubChem CID
589607

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

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