Basic information
- CAS
34346-90-2- Standard SMILES
COc1cc(C=CC=O)cc(OC)c1OC- InChIKey
XDSHNNRBLSBDAP-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- 3-(3,4,5-Trimethoxyphenyl)-2-propenal
- IUPAC
- 3-(3,4,5-trimethoxyphenyl)prop-2-enal
- English name
- 3,4,5-Trimethoxycinnamaldehyde
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
3-(3,4,5-Trimethoxyphenyl)-2-propenalSpectrum_0008003-(3,4,5-trimethoxy-phenyl)-propenalSpecPlus_000034Spectrum2_001840Spectrum3_001286Spectrum4_001481KBioGR_002081KBioSS_001280DivK1c_006130SCHEMBL527351SCHEMBL978662
Show more names
TRIMETHOXYCINNAMALDEHYDE3,4,5-Trimethoxycinnamaldehyde3-(3,4,5-Trimethoxyphenyl)propenal2-Propenal, 3-(3,4,5-trimethoxyphenyl)-
SPBio_001919KBio1_001074KBio2_001280KBio2_003848KBio2_006416KBio3_002111XDSHNNRBLSBDAP-UHFFFAOYSA-NDTXSID901286822
Database identifiers
- CAS
34346-90-2- PubChem CID
- 36798
- DTXSID
DTXSID901286822
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 283.41 °C · 283.41°C (rough estimate)
- Density
- 1.0643 · 1.0643 (rough estimate)
- refractive index
- 1.456 · 1.4560 (estimate)
Chemistry & industry
Suppliers1 total
海南骅翔医药科技有限公司18389863383 · [email protected]
Additional notes
DefinitionChEBI: 3,4,5-Trimethoxycinnamaldehyde is a member of cinnamaldehydes.
Related reactions
2 records
Compound notes
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