Basic information
- Standard SMILES
Cc1cc(C=O)cc(C)c1CC(O)CO- InChIKey
IAPBBCKBGLNBQF-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
Names & identifiers
- Preferred name
- 4-(2,3-Dihydroxy-propyl)-3,5-dimethyl-benzaldehyde
- IUPAC
- 4-(2,3-dihydroxypropyl)-3,5-dimethylbenzaldehyde
Names & synonyms
4-(2,3-dihydroxy-propyl)-3,5-dimethyl-benzaldehyde917873-33-7SCHEMBL1799924IAPBBCKBGLNBQF-UHFFFAOYSA-NDB-331525
Database identifiers
- PubChem CID
- 86640171
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
2 records
Compound notes
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