Basic information
- CAS
24871-74-7- Standard SMILES
CC(=O)CC(=O)OCCOCCOC(=O)CC(C)=O- InChIKey
PQVYECRIZCVWGL-UHFFFAOYSA-N- Molecular formula
- C12H18O7
- Average molar mass
- 274.27 g/mol
Names & identifiers
- Preferred name
- 2-[2-(3-Oxobutanoyloxy)ethoxy]ethyl 3-oxobutanoate
- IUPAC
- 2-[2-(3-oxobutanoyloxy)ethoxy]ethyl 3-oxobutanoate
- English name
- Nimodipine Impurity 15
- Molecular formula
- C12H18O7
- Molecular weight
- 274.27
Names & synonyms
SCHEMBL2704967PQVYECRIZCVWGL-UHFFFAOYSA-NButanoic acid, 3-oxo-, 1,1'-(oxydi-2,1-ethanediyl) ester
Database identifiers
- CAS
24871-74-7- Nikkaji
- J267.551J
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 393.5 · 393.5±27.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 10.03 · 10.03±0.46(Predicted)
Chemistry & industry
Suppliers5 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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