maleic acid   

GtoPdb Ligand ID: 9630

Compound class: Synthetic organic
Comment: Maleic acid or cis-butenedioic acid is an organic compound that is a dicarboxylic acid, a molecule with two carboxyl groups.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 74.6
Molecular weight 116.01
XLogP -0.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C=CC(=O)O
Isomeric SMILES OC(=O)/C=C\C(=O)O
InChI InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
InChI Key VZCYOOQTPOCHFL-UPHRSURJSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2Z)-But-2-enedioic acid
Database Links
CAS Registry No. 110-16-7
GtoPdb PubChem SID 340590260
PubChem CID 444266
RCSB PDB Ligand MAE
Search Google for chemical match using the InChIKey VZCYOOQTPOCHFL-UPHRSURJSA-N
Search Google for chemicals with the same backbone VZCYOOQTPOCHFL
Search UniChem for chemical match using the InChIKey VZCYOOQTPOCHFL-UPHRSURJSA-N
Search UniChem for chemicals with the same backbone VZCYOOQTPOCHFL
Wikipedia Maleic_acid