3-(3,4-Dimethoxyphenyl)-2-methylpropanal

HCID 228992

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Basic information

CAS: 50838-61-4
Standard SMILES: COc1ccc(CC(C)C=O)cc1OC
InChIKey: ATRXZVTXBSGFHZ-UHFFFAOYSA-N
Molecular formula: C12H16O3
Average molar mass: 208.25 g/mol
Monoisotopic mass: 208.10994437

Names & identifiers

Preferred name: 3-(3,4-Dimethoxyphenyl)-2-methylpropanal
IUPAC: 3-(3,4-dimethoxyphenyl)-2-methylpropanal

Names & synonyms

3-(3,4-dimethoxyphenyl)-2-methylpropanal50838-61-4DTXSID60281636RefChem:274014DTXCID70232790NSC22281SCHEMBL5792794SCHEMBL11200364NSC-22281AKOS013990830

Database identifiers

CAS: 50838-61-4
PubChem CID: 228992
DTXSID: DTXSID60281636
Nikkaji: J1.653.212F

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 193

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