Basic information
- CAS
306935-78-4- Standard SMILES
Cc1cc(NC(=O)C=CC(=O)O)no1- InChIKey
FHXUOFGJMIEOBX-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- 4-[(5-Methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid
- IUPAC
- 4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid
- English name
- 4-[(5-METHYLISOXAZOL-3-YL)AMINO]-4-OXOBUT-2-ENOIC ACID
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acidMaybridge3_0056872-Butenoic acid,4-[(5-methyl-3-isoxazolyl)amino]-4-oxo-DTXSID603517623-(5-methylisoxazol-3-ylcarbamoyl)acrylic acid4-hydroxy-4-(5-methylisoxazole-3-ylimino)but-2-enoic acid4-[(5-METHYLISOXAZOL-3-YL)AMINO]-4-OXOBUT-2-ENOIC ACID2-Butenoic acid, 4-[(5-methyl-3-isoxazolyl)amino]-4-oxo-
Database identifiers
- CAS
306935-78-4- PubChem CID
- 708679
- DTXSID
DTXSID60351762
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 165 °C · 165 °C
- CAS DataBase Reference
- 306935 · 306935-78-4
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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