3-(2,4-Dimethylphenyl)-2-methylpropanal
Basic information
- CAS
6839-81-2- Standard SMILES
Cc1ccc(CC(C)C=O)c(C)c1- InChIKey
ZCBYIAQXEDBIPK-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 3-(2,4-Dimethylphenyl)-2-methylpropanal
- IUPAC
- 3-(2,4-dimethylphenyl)-2-methylpropanal
Names & synonyms
3-(2,4-dimethylphenyl)-2-methylpropanal6839-81-2DTXSID30281628RefChem:273425DTXCID40232782NSC22268NSC-22268AKOS013991060DB-098765
Database identifiers
- CAS
6839-81-2- PubChem CID
- 228980
- DTXSID
DTXSID30281628
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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