Basic information
- CAS
87048-89-3- Standard SMILES
CCOC(=O)COc1ccc(OCC(=O)OCC)c(C(C)=O)c1- InChIKey
ZUJCBFWOMNMMME-UHFFFAOYSA-N- Molecular formula
- C16H20O7
- Average molar mass
- 324.32 g/mol
- Monoisotopic mass
- 324.12090297
Names & identifiers
- Preferred name
- Acetic acid, 2,2'-((2-acetyl-1,4-phenylene)bis(oxy))bis-, diethyl ester
- IUPAC
- ethyl 2-[3-acetyl-4-(2-ethoxy-2-oxoethoxy)phenoxy]acetate
Names & synonyms
2,5-Bis(carbethoxymethoxy)acetophenoneBRN 4542954ACETIC ACID, 2,2'-((2-ACETYL-1,4-PHENYLENE)BIS(OXY))BIS-, DIETHYL ESTER87048-89-3DTXSID402360882,2'-((2-Acetyl-1,4-phenylene)bis(oxy))bisacetic acid diethyl esterRefChem:316369DTXCID40158579SCHEMBL4269174Diethyl 2,2'-[(2-acetyl-1,4-phenylene)bis(oxy)]diacetate
Database identifiers
- CAS
87048-89-3- PubChem CID
- 55595
- DTXSID
DTXSID40236088
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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