Basic information
- CAS
51885-82-6- Standard SMILES
COC(=O)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1- InChIKey
GEQGZRUBMBVXOF-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- Methyl 4-(2,4,6-trimethylbenzoyl)benzoate
- IUPAC
- methyl 4-(2,4,6-trimethylbenzoyl)benzoate
Names & synonyms
methyl 4-(2,4,6-trimethylbenzoyl)benzoate51885-82-6methyl 4-[(2,4,6-trimethylphenyl)carbonyl]benzoateBenzoic acid, 4-(2,4,6-trimethylbenzoyl)-, methyl esterDTXSID80359609AKOS024348421METHYL 4-(MESITYLCARBONYL)BENZOATEST45163423
Database identifiers
- CAS
51885-82-6- PubChem CID
- 975271
- DTXSID
DTXSID80359609- Nikkaji
- J1.983.032B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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