Basic information
- CAS
6204-62-2- Standard SMILES
CC(=O)c1ccc(O)c2c1OCCO2- InChIKey
JTCQHKLPDZBYKO-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 1-(2,3-Dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethan-1-one
- IUPAC
- 1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-8-yl)ethanone
- English name
- 1-(2,3-dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethan-1-one
- Molecular formula
- C10H10O4
- Molecular weight
- 194.184
Names & synonyms
6204-62-21-(2,3-Dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethan-1-oneEINECS 228-274-9SCHEMBL111834331-(2,3-Dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethanoneDTXSID902111031-(8-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethan-1-one5-hydroxyl 8-acetyl-1,4-benzodioxaneNS000348971-(8-hydroxy-2,3-dihydro-benzo[1,4]dioxin-5-yl)-ethanoneEthanone, 1-(2,3-dihydro-8-hydroxy-1,4-benzodioxin-5-yl)-
Database identifiers
- CAS
6204-62-2- PubChem CID
- 80337
- DTXSID
DTXSID90211103- EC Number
- 228-274-9
- Nikkaji
- J211.455K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
3 records
Compound notes
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