Benzyl 4,5-dihydroxy-2-pentenoate
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Basic information
- Standard SMILES
O=C(C=CC(O)CO)OCc1ccccc1- InChIKey
YVETUVCSJFZNIJ-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- Benzyl 4,5-dihydroxy-2-pentenoate
- IUPAC
- benzyl 4,5-dihydroxypent-2-enoate
Names & synonyms
SCHEMBL3725742YVETUVCSJFZNIJ-UHFFFAOYSA-Nbenzyl 4,5-dihydroxy-2-pentenoate
Database identifiers
- PubChem CID
- 54529065
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
9 records
Compound notes
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