Basic information
- CAS
29814-12-8- Standard SMILES
CC(C)OC(=O)/C(Cl)=C(/Cl)C=O- InChIKey
YBSQZBGLKVFFSI-WAYWQWQTSA-N- Molecular formula
- C7H8Cl2O3
- Average molar mass
- 211.04 g/mol
- Monoisotopic mass
- 209.9850495
Names & identifiers
- Preferred name
- Mucochloric acid isopropyl ether
- IUPAC
- propan-2-yl (Z)-2,3-dichloro-4-oxobut-2-enoate
Names & synonyms
Mucochloric acid isopropyl ether29814-12-8CCRIS 6598DTXSID001031189
Database identifiers
- CAS
29814-12-8- PubChem CID
- 3036735
- DTXSID
DTXSID001031189
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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