Basic information
- CAS
55502-62-0- Standard SMILES
COCC(CO)(CO)CO- InChIKey
AJUSPBSXOGUAFJ-UHFFFAOYSA-N- Molecular formula
- C6H14O4
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.08920892
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-(hydroxymethyl)-2-(methoxymethyl)-
- IUPAC
- 2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol
- English name
- 1,3-Propanediol, 2-(hydroxymethyl)-2-(methoxymethyl)-
- Molecular formula
- C6H14O4
- Molecular weight
- 150.17
Names & synonyms
55502-62-01,3-Propanediol, 2-(hydroxymethyl)-2-(methoxymethyl)-2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol2-(hydroxymethyl)-2-(methoxymethyl)-1,3-propanediolSCHEMBL3935165DTXSID00276086G829812-(hydroxymethyl)-2-(methoxymethyl)-propane-1,3-diol
Database identifiers
- CAS
55502-62-0- PubChem CID
- 110263
- DTXSID
DTXSID00276086- Nikkaji
- J803.567I
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 71.6
Physicochemical properties
- Melting point
- 60 · 60-67 °C
- Boiling point
- 170 · 170-180 °C(Press: 5 Torr)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 13.71 · 13.71±0.10(Predicted)
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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