(3Z)-4-(2,3-Dimethoxyphenyl)-3-(ethoxycarbonyl)but-3-enoic acid
Basic information
- CAS
65210-61-9- Standard SMILES
CCOC(=O)/C(=C\c1cccc(OC)c1OC)CC(=O)O- InChIKey
XHDFWAWWXQJVTO-FLIBITNWSA-N- Molecular formula
- C15H18O6
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.11033829
Names & identifiers
- Preferred name
- (3Z)-4-(2,3-Dimethoxyphenyl)-3-(ethoxycarbonyl)but-3-enoic acid
- IUPAC
- (Z)-4-(2,3-dimethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid
Names & synonyms
65210-61-9DTXSID80712730(3Z)-4-(2,3-Dimethoxyphenyl)-3-(ethoxycarbonyl)but-3-enoic acidNSC266504NSC-266504
Database identifiers
- CAS
65210-61-9- PubChem CID
- 54599347
- DTXSID
DTXSID80712730
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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