o-Xylene-3,alpha,alpha'-triol
Basic information
- CAS
7369-27-9- Standard SMILES
OCc1cccc(O)c1CO- InChIKey
ZBSGNEYIENETRW-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- o-Xylene-3,alpha,alpha'-triol
- IUPAC
- 2,3-bis(hydroxymethyl)phenol
- English name
- o-xylene-3,alpha,alpha'-triol
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
2,3-bis(hydroxymethyl)phenolo-Xylene-3,alpha,alpha'-triol7369-27-9dimethylol phenol(3-Hydroxy-1,2-phenylene)dimethanol1,2-Benzenedimethanol, 3-hydroxy-EINECS 230-921-53-Hydroxy-1,2-benzenedimethanol2,3-DimethylolphenolSCHEMBL167807724QB6UV8HSCHEMBL6957115
Show more names
SCHEMBL30182764DTXSID40223978ZBSGNEYIENETRW-UHFFFAOYSA-NAKOS040814652o-Xylene-alpha,alpha'-diol, 3-hydroxy-NS00037545F2147-8421
Database identifiers
- CAS
7369-27-9- PubChem CID
- 81835
- DTXSID
DTXSID40223978- UNII
- 724QB6UV8H
- EC Number
- 230-921-5
- Nikkaji
- J212.368A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 369.3 · 369.3±32.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 9.71 · 9.71±0.10(Predicted)
Related reactions
1 records
Compound notes
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