Basic information
- CAS
112309-61-2- Standard SMILES
CC1=C(Cl)C(=O)OC1O- InChIKey
NXYVXACYNRXBAI-UHFFFAOYSA-N- Molecular formula
- C5H5ClO3
- Average molar mass
- 148.54 g/mol
- Monoisotopic mass
- 147.9927217
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Chloro-5-hydroxy-4-methyl-2(5H)-furanone
- IUPAC
- 4-chloro-2-hydroxy-3-methyl-2H-furan-5-one
- English name
- 3-chloro-4-methyl-5-hydroxy-2(5H)-furanone
- Molecular formula
- C5H5ClO3
- Molecular weight
- 148.54
Names & synonyms
3-Chloro-4-methyl-5-hydroxy-2(5H)-furanone112309-61-23-chloro-5-hydroxy-4-methyl-2(5h)-furanone4L8R69907J2(5H)-FURANONE, 3-CHLORO-5-HYDROXY-4-METHYL-3-CMH-furanoneMCF cpdRefChem:934384-chloro-2-hydroxy-3-methyl-2H-furan-5-oneCCRIS 5338SCHEMBL16245792UNII-4L8R69907J
Show more names
DTXSID30920727NXYVXACYNRXBAI-UHFFFAOYSA-NAKOS0062790303-Chloro-5-hydroxy-4-methylfuran-2(5H)-oneQ27894328
Database identifiers
- CAS
112309-61-2- PubChem CID
- 60552
- DTXSID
DTXSID30920727- UNII
- 4L8R69907J
- Nikkaji
- J480.436H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- FDA UNII
- 4 L8R69907J · 4L8R69907J
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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