Basic information
- CAS
36283-06-4- Standard SMILES
CC1=NC(=Cc2ccco2)C(=O)O1- InChIKey
SDOORZKPWPUAPF-UHFFFAOYSA-N- Molecular formula
- C9H7NO3
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.04259308
Names & identifiers
- Preferred name
- 4-(Furan-2-ylmethylidene)-2-methyl-1,3-oxazol-5-one
- IUPAC
- 4-(furan-2-ylmethylidene)-2-methyl-1,3-oxazol-5-one
- English name
- (4E)-4-(2-Furylmethylene)-2-methyl-1,3-oxazol-5(4H)-one
- Molecular formula
- C9H7NO3
- Molecular weight
- 177.16
Names & synonyms
(4E)-4-(2-furylmethylene)-2-methyl-oxazol-5-one4-(furan-2-ylmethylidene)-2-methyl-1,3-oxazol-5-oneSCHEMBL11359006DTXSID603274274-[(Furan-2-yl)methylidene]-2-methyl-1,3-oxazol-5(4H)-one5(4H)-Oxazolone, 4-(2-furanylmethylene)-2-methyl-
Database identifiers
- CAS
36283-06-4- PubChem CID
- 375798
- DTXSID
DTXSID60327427
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 260.7 · 260.7±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 0.76 · 0.76±0.20(Predicted)
Chemistry & industry
Suppliers4 total
Exlcusive Chemistry Ltd—
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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