2-(1,3-Diethoxy-1,3-dioxopropan-2-yl)-4-ethoxy-3-(ethoxycarbonyl)-4-oxobutanoic acid
Basic information
- CAS
5457-03-4- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(C(=O)O)C(C(=O)OCC)C(=O)OCC- InChIKey
FFGVIJKBOBIXBD-UHFFFAOYSA-N- Molecular formula
- C16H24O10
- Average molar mass
- 376.36 g/mol
- Monoisotopic mass
- 376.13694696
Names & identifiers
- Preferred name
- 2-(1,3-Diethoxy-1,3-dioxopropan-2-yl)-4-ethoxy-3-(ethoxycarbonyl)-4-oxobutanoic acid
- IUPAC
- 2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutanoic acid
Names & synonyms
5457-03-42-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4-ethoxy-3-(ethoxycarbonyl)-4-oxobutanoic acidNSC21387DTXSID20281359NSC-21387
Database identifiers
- CAS
5457-03-4- PubChem CID
- 228450
- DTXSID
DTXSID20281359
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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