o-Toluic acid, 3,5-dimethylphenyl ester
Basic information
- CAS
62261-94-3- Standard SMILES
Cc1cc(C)cc(OC(=O)c2ccccc2C)c1- InChIKey
KQHWCEXXLBPFQU-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- o-Toluic acid, 3,5-dimethylphenyl ester
- IUPAC
- (3,5-dimethylphenyl) 2-methylbenzoate
Names & synonyms
o-Toluic acid, 3,5-dimethylphenyl ester62261-94-3DTXSID20336318RefChem:366557DTXCID70287407KQHWCEXXLBPFQU-UHFFFAOYSA-N3,5-dimethylphenyl o-toluateAKOS002948504o-Toluylic acid, 3,5-dimethylphenyl ester3,5-DIMETHYLPHENYL 2-METHYLBENZOATE
Database identifiers
- CAS
62261-94-3- PubChem CID
- 532243
- DTXSID
DTXSID20336318
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
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Related reactions
1 records
Compound notes
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