Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)OC- InChIKey
KABPFGUPEVFJDH-LBPRGKRZSA-N- Molecular formula
- C14H18O6
- Average molar mass
- 282.29 g/mol
Names & identifiers
- Preferred name
- (2S)-3-(4-carboxymethoxy-phenyl)-2-methoxy-propionic acid ethyl ester
- IUPAC
- 2-[4-[(2S)-3-ethoxy-2-methoxy-3-oxopropyl]phenoxy]acetic acid
Names & synonyms
SCHEMBL5361601KABPFGUPEVFJDH-LBPRGKRZSA-N(2S)-3-(4-carboxymethoxy-phenyl)-2-methoxy-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 58864673
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
58 records
Compound notes
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