3,6-Dihydroxy-2,4-dimethylbenzaldehyde
Basic information
- CAS
31404-85-0- Standard SMILES
Cc1cc(O)c(C=O)c(C)c1O- InChIKey
IHFFJZXRIPFLFN-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 3,6-Dihydroxy-2,4-dimethylbenzaldehyde
- IUPAC
- 3,6-dihydroxy-2,4-dimethylbenzaldehyde
Names & synonyms
3,6-dihydroxy-2,4-dimethylbenzaldehyde31404-85-0NSC211459DTXSID80309245NSC-211459
Database identifiers
- CAS
31404-85-0- PubChem CID
- 309256
- DTXSID
DTXSID80309245
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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