2-Propenal, 3-(4-hydroxy-2-methoxyphenyl)-
Basic information
- CAS
127321-19-1- Standard SMILES
COc1cc(O)ccc1C=CC=O- InChIKey
MRCGVXARHKOYKU-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Overview
2-Propenal, 3-(4-hydroxy-2-methoxyphenyl)- has been reported in Vanilla planifolia with data available.
Names & identifiers
- Preferred name
- 2-Propenal, 3-(4-hydroxy-2-methoxyphenyl)-
- IUPAC
- 3-(4-hydroxy-2-methoxyphenyl)prop-2-enal
Names & synonyms
2-Propenal, 3-(4-hydroxy-2-methoxyphenyl)-DTXSID20345026RefChem:266185DTXCID20296100127321-19-14-Hydroxy-2-methoxycinnamaldehydeSCHEMBL1682631
Database identifiers
- CAS
127321-19-1- PubChem CID
- 601227
- DTXSID
DTXSID20345026
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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