3-{3-Methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}propanoic acid
Basic information
- CAS
820215-81-4- Standard SMILES
C=CCOc1ccc(CCC(=O)O)cc1OC- InChIKey
WLDRRGTXXBSKSD-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 3-{3-Methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}propanoic acid
- IUPAC
- 3-(3-methoxy-4-prop-2-enoxyphenyl)propanoic acid
Names & synonyms
820215-81-43-{3-Methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}propanoic acid3-(4-(Allyloxy)-3-methoxyphenyl)propanoic acidSCHEMBL3691758DTXSID60601693WLDRRGTXXBSKSD-UHFFFAOYSA-N3-{3-methoxy-4-(2-propenyloxy)phenyl}propionic acid
Database identifiers
- CAS
820215-81-4- PubChem CID
- 19987262
- DTXSID
DTXSID60601693
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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