Basic information
- CAS
56269-66-0- Standard SMILES
CC(=O)OC(/C=C(\C)C=O)OC(C)=O- InChIKey
ZONLFTZQOACGCL-GQCTYLIASA-N- Molecular formula
- C9H12O5
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.06847348
Names & identifiers
- Preferred name
- (E)-3-Formylbut-2-endiyl diacetate
- IUPAC
- [(E)-1-acetyloxy-3-methyl-4-oxobut-2-enyl] acetate
- English name
- (E)-3-formylbut-2-endiyl diacetate
- Molecular formula
- C9H12O5
- Molecular weight
- 200.19
Names & synonyms
(E)-3-Formylbut-2-endiyl diacetateEINECS 260-084-156269-66-0SCHEMBL4795861DTXSID901253956NS00055199(2E)-3-Formylbut-2-ene-1,1-diyl diacetate2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (E)-2-methyl-4,4-diacetoxy-but-2-enal2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (E)- (9CI)Diacetic acid (E)-3-methyl-4-oxo-2-butenylidene ester
Database identifiers
- CAS
56269-66-0- PubChem CID
- 6436626
- DTXSID
DTXSID901253956- EC Number
- 260-084-1
- Nikkaji
- J296.624G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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