Ethyl 2,3,5,6-tetramethylbenzoate
Basic information
- CAS
55352-35-7- Standard SMILES
CCOC(=O)c1c(C)c(C)cc(C)c1C- InChIKey
SFWAUSITTYSHJE-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- Ethyl 2,3,5,6-tetramethylbenzoate
- IUPAC
- ethyl 2,3,5,6-tetramethylbenzoate
Names & synonyms
ethyl 2,3,5,6-tetramethylbenzoate55352-35-7DTXSID70325277RefChem:342171DTXCID502763942,3,5,6-tetramethyl-benzoic acid ethyl esterMFCD12024953NSC409543SCHEMBL10456737ethyl-2,3,5,6-tetramethyl benzoateNSC-409543
Database identifiers
- CAS
55352-35-7- PubChem CID
- 349702
- DTXSID
DTXSID70325277
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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