Acetic acid, phenoxy-, 2-methylphenyl ester
Basic information
- CAS
112445-71-3- Standard SMILES
Cc1ccccc1OC(=O)COc1ccccc1- InChIKey
MCAORZBZTONBGH-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- Acetic acid, phenoxy-, 2-methylphenyl ester
- IUPAC
- (2-methylphenyl) 2-phenoxyacetate
Names & synonyms
Acetic acid, phenoxy-, 2-methylphenyl ester112445-71-3DTXSID00352697RefChem:316676DTXCID203037622-methylphenyl phenoxyacetate2-methylphenyl 2-phenoxyacetateAKOS002247546ST50200461
Database identifiers
- CAS
112445-71-3- PubChem CID
- 733469
- DTXSID
DTXSID00352697
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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