Synonyms: malate
Compound class:
Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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5
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Hydrogen bond donors
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3
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Rotatable bonds
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3
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Topological polar surface area
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94.83
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Molecular weight
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134.02
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XLogP
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-1.47
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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OC(=O)CC(C(=O)O)O
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Isomeric SMILES
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OC(=O)CC(C(=O)O)O
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InChI
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InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
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InChI Key
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BJEPYKJPYRNKOW-UHFFFAOYSA-N
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