Basic information
- CAS
56862-58-9- Standard SMILES
COCOc1ccc(C=CC=O)cc1OC- InChIKey
DSMOYXWZPJLKEI-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)-
- IUPAC
- 3-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-enal
Names & synonyms
62427-71-82-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)-3-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-enalSCHEMBL9329884DTXSID20275899NS00055271
Database identifiers
- CAS
56862-58-9、62427-71-8- PubChem CID
- 92552
- DTXSID
DTXSID20275899
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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