Basic information
- CAS
782503-74-6- Standard SMILES
COc1cccc(/C=C2\N=C(C)OC2=O)c1OC- InChIKey
UZPKKAMGTDPZOO-YFHOEESVSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- (4Z)-4-((2,3-Dimethoxyphenyl)methylene)-2-methyl-5(4H)-oxazolone
- IUPAC
- (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Names & synonyms
782503-74-6(4Z)-4-[(2,3-Dimethoxyphenyl)methylene]-2-methyl-5(4H)-oxazolone(4Z)-4-((2,3-Dimethoxyphenyl)methylene)-2-methyl-5(4H)-oxazoloneRefChem:209299Oxazole-5-one, 2-methyl-4-[(2,3-dimethoxyphenyl)methene]-UZPKKAMGTDPZOO-YFHOEESVSA-NDTXSID101170144(4Z)-4-(2,3-Dimethoxybenzylidene)-2-methyl-1,3-oxazol-5(4H)-one #(4Z)-4-[(2,3-Dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
782503-74-6- PubChem CID
- 5374566
- DTXSID
DTXSID101170144
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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