3-Hydroxy-2,4,5-trimethylbenzaldehyde
Basic information
- CAS
91060-94-5- Standard SMILES
Cc1cc(C=O)c(C)c(O)c1C- InChIKey
NDJGXNRZSVWWRM-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 3-Hydroxy-2,4,5-trimethylbenzaldehyde
- IUPAC
- 3-hydroxy-2,4,5-trimethylbenzaldehyde
Names & synonyms
3-hydroxy-2,4,5-trimethylbenzaldehyde91060-94-5RefChem:279757SCHEMBL8761629DTXSID1012870523-Hydroxy-2,4,5-trimethyl-benzaldehyd
Database identifiers
- CAS
91060-94-5- PubChem CID
- 13448554
- DTXSID
DTXSID101287052
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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