Basic information
- Standard SMILES
CC(=O)c1ccc2c(c1O)O[C@@H](CO)CO2- InChIKey
BFCIZRIUVBAOGK-ZETCQYMHSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
Names & identifiers
- Preferred name
- 1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-Ethanone
- IUPAC
- 1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
Names & synonyms
SCHEMBL4363300BFCIZRIUVBAOGK-ZETCQYMHSA-N1-[(3S)-5-hydroxy-3-(hydroxy-methyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-ethanone1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-Ethanone
Database identifiers
- PubChem CID
- 69017006
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
13 records
Compound notes
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