4-hydroxy-3-(1,2-oxazol-5-yl)-2H-furan-5-one
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Basic information
- CAS
84608-81-1- Standard SMILES
O=C1OCC(c2ccno2)=C1O- InChIKey
WTBGFUSEHOTOQD-UHFFFAOYSA-N- Molecular formula
- C7H5NO4
- Average molar mass
- 167.12 g/mol
- Monoisotopic mass
- 167.02185764
Names & identifiers
- Preferred name
- 4-hydroxy-3-(1,2-oxazol-5-yl)-2H-furan-5-one
- IUPAC
- 4-hydroxy-3-(1,2-oxazol-5-yl)-2H-furan-5-one
Names & synonyms
84608-81-1NSC369889SCHEMBL9743624DTXSID401004906NSC-3698893-Hydroxy-4-(1,2-oxazol-5-yl)furan-2(5H)-one
Database identifiers
- CAS
84608-81-1- PubChem CID
- 340141
- DTXSID
DTXSID401004906
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 248
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