Basic information
- CAS
2902-72-9- Standard SMILES
O=C1C=CC(O)(C(Cl)(Cl)Cl)O1- InChIKey
VLURPSDJKURISB-UHFFFAOYSA-N- Molecular formula
- C5H3Cl3O3
- Average molar mass
- 217.43 g/mol
- Monoisotopic mass
- 215.914777
Names & identifiers
- Preferred name
- 5-Hydroxy-5-trichloromethyl-2-furanone
- IUPAC
- 5-hydroxy-5-(trichloromethyl)furan-2-one
Names & synonyms
2902-72-95-Hydroxy-5-trichloromethyl-2-furanoneN9A8B945AH5-Hydroxy-5-(trichloromethyl)-2(5H)-furanoneUNII-N9A8B945AHNSC 99012NSC-990125-hydroxy-5-(trichloromethyl)furan-2(5H)-oneNSC99012NCIOpen2_006703DTXSID1021613VLURPSDJKURISB-UHFFFAOYSA-
Show more names
2(5H)-Furanone, 5-hydroxy-5-(trichloromethyl)-2-PENTENOIC ACID, 5,5,5-TRICHLORO-4,4-DIHYDROXY-, .GAMMA.-LACTONEInChI=1/C5H3Cl3O3/c6-5(7,8)4(10)2-1-3(9)11-4/h1-2,10H
Database identifiers
- CAS
2902-72-9- PubChem CID
- 264111
- DTXSID
DTXSID1021613- UNII
- N9A8B945AH
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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