Methyl 2-(3,4,5-trimethoxyphenyl)pent-4-enoate
Basic information
- CAS
67031-11-2- Standard SMILES
C=CCC(C(=O)OC)c1cc(OC)c(OC)c(OC)c1- InChIKey
MVDBYTZXZHVKMQ-UHFFFAOYSA-N- Molecular formula
- C15H20O5
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.13107373
Names & identifiers
- Preferred name
- Methyl 2-(3,4,5-trimethoxyphenyl)pent-4-enoate
- IUPAC
- methyl 2-(3,4,5-trimethoxyphenyl)pent-4-enoate
Names & synonyms
67031-11-2methyl 2-(3,4,5-trimethoxyphenyl)pent-4-enoateNSC272324DTXSID10313552NSC-272324
Database identifiers
- CAS
67031-11-2- PubChem CID
- 321441
- DTXSID
DTXSID10313552
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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