Basic information
- CAS
4276-75-9- Standard SMILES
COc1ccc(O[C@H](C)C(=O)O)cc1- InChIKey
MIEKOFWWHVOKQX-SSDOTTSWSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- Propanoic acid, 2-(4-methoxyphenoxy)-, (R)-
- IUPAC
- (2R)-2-(4-methoxyphenoxy)propanoic acid
- English name
- 2-(4-methoxyphenoxy)propanoic acid
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
4276-75-9UNII-X6YE0JJ0ARLACTISOLE, (R)-LACTISOLE, (+)-orb1740219SCHEMBL10667608(+)-2-(4-methoxyphenoxy)propanoic acid(R)-2-(P-METHOXYPHENOXY)PROPIONIC ACIDPropanoic acid, 2-(4-methoxyphenoxy)-, (R)-T69261(R)-2-(4-METHOXYPHENOXY)PROPIONIC ACID2-(4-METHOXYPHENOXY)PROPANOIC ACID, (+)-
Show more names
Na-pmp2-Pmp-pa2-(p-Methoxyphenoxy)propanoatePropanoic acid, 2-(4-methoxyphenoxy)-, (2R)-
Q27293616
Database identifiers
- CAS
4276-75-9- PubChem CID
- 697335
- UNII
- X6YE0JJ0AR
- Nikkaji
- J77.021C
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
Physicochemical properties
- Melting point
- 65 · 65-66 °C
- Boiling point
- 331.6 · 331.6±17.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 3.29 · 3.29±0.10(Predicted)
- FDA UNII
- 6 YE0JJ0AR · X6YE0JJ0AR
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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