Basic information
- CAS
85117-87-9- Standard SMILES
CC(=O)OCC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1- InChIKey
YBPOUYKRSJRDEC-UHFFFAOYSA-N- Molecular formula
- C16H16O9
- Average molar mass
- 352.29 g/mol
- Monoisotopic mass
- 352.07943208
Names & identifiers
- Preferred name
- 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate
- IUPAC
- [2-oxo-2-(3,4,5-triacetyloxyphenyl)ethyl] acetate
- English name
- 5-(2-acetoxyacetyl)benzene-1,2,3-triyl triacetate
- Molecular formula
- C16H16O9
- Molecular weight
- 352.29
Names & synonyms
85117-87-95-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate[2-oxo-2-(3,4,5-triacetyloxyphenyl)ethyl] acetateEINECS 285-637-4NSC1148965-[(acetyloxy)acetyl]benzene-1,2,3-triyl triacetateDTXSID50234232Ethanone,2-(acetyloxy)-1-[3,4,5-tris(acetyloxy)phenyl]-YBPOUYKRSJRDEC-UHFFFAOYSA-NNSC 114896NSC-114896DS-010916
Show more names
2-(Acetyloxy)-1-[3,4,5-tris(acetyloxy)phenyl]ethanoneEthanone, 2-(acetyloxy)-1-[3,4,5-tris(acetyloxy)phenyl]-
NS0003878410.14272/YBPOUYKRSJRDEC-UHFFFAOYSA-Ndoi:10.14272/YBPOUYKRSJRDEC-UHFFFAOYSA-N
Database identifiers
- CAS
85117-87-9- PubChem CID
- 97308
- DTXSID
DTXSID50234232- EC Number
- 285-637-4
- Nikkaji
- J309.737D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
济南铭雅医药科技有限公司0531-85828981 · [email protected]
TopScience Biochemical00852-68527855 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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