1,1,2-Propanetriol
Basic information
- CAS
65687-54-9- Standard SMILES
CC(O)C(O)O- InChIKey
CZMAXQOXGAWNDO-UHFFFAOYSA-N- Molecular formula
- C3H8O3
- Average molar mass
- 92.09 g/mol
- Monoisotopic mass
- 92.04734411
Names & identifiers
- Preferred name
- 1,1,2-Propanetriol
- IUPAC
- propane-1,1,2-triol
Names & synonyms
1,1,2-Propanetriol65687-54-9DTXSID90332307RefChem:213221DTXCID30283400Propane-1,1,2-trioloxypropylene glycolSCHEMBL48513SCHEMBL90439SCHEMBL692640SCHEMBL997475SCHEMBL1661429
Show more names
SCHEMBL1661715SCHEMBL3967956SCHEMBL7856960SCHEMBL9231090
Database identifiers
- CAS
65687-54-9- PubChem CID
- 449470
- DTXSID
DTXSID90332307
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 35
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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