3-(3-Hydroxy-4,5-dimethoxyphenyl)propane-1,2-diol
Basic information
- CAS
76774-01-1- Standard SMILES
COc1cc(CC(O)CO)cc(O)c1OC- InChIKey
UQYCPIIUTQRNPU-UHFFFAOYSA-N- Molecular formula
- C11H16O5
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.09977361
Names & identifiers
- Preferred name
- 3-(3-Hydroxy-4,5-dimethoxyphenyl)propane-1,2-diol
- IUPAC
- 3-(3-hydroxy-4,5-dimethoxyphenyl)propane-1,2-diol
Names & synonyms
3-(3-hydroxy-4,5-dimethoxyphenyl)propane-1,2-diolDTXSID90123438876774-01-13-(3-Hydroxy-4,5-dimethoxyphenyl)-1,2-propanediol
Database identifiers
- CAS
76774-01-1- PubChem CID
- 14213618
- DTXSID
DTXSID901234388- Nikkaji
- J1.530.155D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…