Basic information
- CAS
862188-09-8- Standard SMILES
OCCC(O)c1ccc2c(c1)OCCO2- InChIKey
SCPSSMPKRBJSLT-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 1-(2,3-Dihydro-1,4-benzodioxin-6-YL)propane-1,3-diol
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
- English name
- 1,3-Propanediol, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
862188-09-81-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PROPANE-1,3-DIOL1,3-Propanediol, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-SCHEMBL3183717DA-020821-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-Propanediol1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propane-1,3-diol1,3-Propanediol, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
Database identifiers
- CAS
862188-09-8- PubChem CID
- 45122033
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
德拜科技有限公司00852-2521 1836
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…