Basic information
- CAS
125973-98-0- Standard SMILES
CC(=O)OC(Cl)C1=CC(=O)OC1- InChIKey
ILVDSUQKKNCONG-UHFFFAOYSA-N- Molecular formula
- C7H7ClO4
- Average molar mass
- 190.58 g/mol
- Monoisotopic mass
- 190.0032864
Names & identifiers
- Preferred name
- (chloro(5-oxo-2h-furan-3-yl)methyl) Acetate
- IUPAC
- [chloro-(5-oxo-2H-furan-3-yl)methyl] acetate
Names & synonyms
125973-98-0(chloro(5-oxo-2h-furan-3-yl)methyl) AcetateILVDSUQKKNCONG-UHFFFAOYSA-DTXSID70925332Chloro(5-oxo-2,5-dihydrofuran-3-yl)methyl acetateInChI=1/C7H7ClO4/c1-4(9)12-7(8)5-2-6(10)11-3-5/h2,7H,3H2,1H3
Database identifiers
- CAS
125973-98-0- PubChem CID
- 183752
- DTXSID
DTXSID70925332
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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