1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-Ethanone

HCID 69017006

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

Related reactions

13 records

Compound notes

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