Basic information
- CAS
21147-26-2- Standard SMILES
COC(=O)c1ccccc1C(=O)c1ccccc1C- InChIKey
HFCIXDZCBXKGQQ-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- Methyl 2-(2-methylbenzoyl)benzoate
- IUPAC
- methyl 2-(2-methylbenzoyl)benzoate
- English name
- 2-(2-Methyl-benzoyl)-benzoic acidmethyl ester
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
Methyl 2-(2-methylbenzoyl)benzoate21147-26-2DTXSID20344352RefChem:353804DTXCID302954272-(2-METHYL-BENZOYL)-BENZOIC ACIDMETHYL ESTERSCHEMBL27901506HFCIXDZCBXKGQQ-UHFFFAOYSA-NMethyl2-(2-methylbenzoyl)benzoateAKOS015963090Methyl 2-(2-methylbenzoyl)benzoate #Benzoic acid, o-(o-toluoyl)-, methyl ester
Show more names
o-(o-Toluoyl)benzoic acid methyl esterBenzoic acid, 2-(2-methylbenzoyl)-, methyl ester
Database identifiers
- CAS
21147-26-2- PubChem CID
- 596129
- DTXSID
DTXSID20344352- Nikkaji
- J103.581I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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