Basic information
- CAS
4424-32-2- Standard SMILES
Cc1ccc(C(CO)CO)cc1- InChIKey
VFUWTUIVNISCGA-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- p-Cymene-9,10-diol
- IUPAC
- 2-(4-methylphenyl)propane-1,3-diol
Names & synonyms
p-Cymene-9,10-diol1,3-Propanediol, 2-p-tolyl-4424-32-2BRN 2519047DTXSID40196077RefChem:367672DTXCID501185682-(4-methylphenyl)propane-1,3-diolSCHEMBL205612AKOS006277117ST51045466
Database identifiers
- CAS
4424-32-2- PubChem CID
- 199573
- DTXSID
DTXSID40196077- Nikkaji
- J864.187K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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