Basic information
- CAS
4276-74-8- Standard SMILES
COc1ccc(O[C@@H](C)C(=O)O)cc1- InChIKey
MIEKOFWWHVOKQX-ZETCQYMHSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenoxy)propanoic acid, (-)-
- IUPAC
- (2S)-2-(4-methoxyphenoxy)propanoic acid
Names & synonyms
Lactisole S-isomerLactisole, (S)-Lactisole, (-)-Lactisole S-isomer [MI]UNII-7T1FBU2P6I2-(4-Methoxyphenoxy)propanoic acid, (-)-7T1FBU2P6I(S)-2-(4-Methoxyphenoxy)propionic acid4276-74-8(2S)-2-(4-methoxyphenoxy)propanoic acidPropanoic acid, 2-(4-methoxyphenoxy)-, (2S)-(S)-Lactisole
Show more names
SCHEMBL5600662DTXSID101278566EBC-06414(-)-2-(4-methoxyphenoxy)propanoic acidEN300-2124398Q27268809
Database identifiers
- CAS
4276-74-8- PubChem CID
- 697337
- DTXSID
DTXSID101278566- UNII
- 7T1FBU2P6I
- Nikkaji
- J77.020E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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