5-Methoxybenzene-1,2,4-triyl triacetate
Basic information
- CAS
38475-42-2- Standard SMILES
COc1cc(OC(C)=O)c(OC(C)=O)cc1OC(C)=O- InChIKey
VMLCUXPGYHBUFM-UHFFFAOYSA-N- Molecular formula
- C13H14O7
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.07395278
Names & identifiers
- Preferred name
- 5-Methoxybenzene-1,2,4-triyl triacetate
- IUPAC
- (4,5-diacetyloxy-2-methoxyphenyl) acetate
Names & synonyms
5-methoxybenzene-1,2,4-triyl triacetate38475-42-2DTXSID20301566RefChem:303842DTXCID60252700NSC144255SCHEMBL21723164NSC-144255
Database identifiers
- CAS
38475-42-2- PubChem CID
- 286316
- DTXSID
DTXSID20301566- Nikkaji
- J2.070.543D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…