4-(Chloromethyl)-5-hydroxy-2(5H)-furanone
Basic information
- CAS
125974-06-3- Standard SMILES
O=C1C=C(CCl)C(O)O1- InChIKey
CGGKPVLGRJYRIP-UHFFFAOYSA-N- Molecular formula
- C5H5ClO3
- Average molar mass
- 148.54 g/mol
- Monoisotopic mass
- 147.9927217
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone
- IUPAC
- 3-(chloromethyl)-2-hydroxy-2H-furan-5-one
Names & synonyms
125974-06-34-(Chloromethyl)-5-hydroxy-2(5H)-furanone3-(chloromethyl)-2-hydroxy-2H-furan-5-oneCCRIS 5362UNII-0SA8W1M788CGGKPVLGRJYRIP-UHFFFAOYSA-DTXSID50925335AKOS0062801754-chloromethyl-5-hydroxy-2(5h)-furanone4-(Chloromethyl)-5-hydroxyfuran-2(5H)-oneInChI=1/C5H5ClO3/c6-2-3-1-4(7)9-5(3)8/h1,5,8H,2H2
Database identifiers
- CAS
125974-06-3- PubChem CID
- 115229
- DTXSID
DTXSID50925335- Nikkaji
- J313.413J
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 164
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Compound notes
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