2-Methyl-3-(2,4,5-trimethylphenyl)propanal
Basic information
- CAS
71209-60-4- Standard SMILES
Cc1cc(C)c(CC(C)C=O)cc1C- InChIKey
GTLPUMIAMHGIOF-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 2-Methyl-3-(2,4,5-trimethylphenyl)propanal
- IUPAC
- 2-methyl-3-(2,4,5-trimethylphenyl)propanal
Names & synonyms
71209-60-42-methyl-3-(2,4,5-trimethylphenyl)propanalNSC22270DTXSID00281630NSC-22270AKOS014321213
Database identifiers
- CAS
71209-60-4- PubChem CID
- 228982
- DTXSID
DTXSID00281630
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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