((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid

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Basic information

CAS: 67318-05-2
Standard SMILES: Cc1oc(NC(=O)C(=O)O)c(C#N)c1C
InChIKey: BPFHWGRVXBPDKN-UHFFFAOYSA-N
Molecular formula: C9H8N2O4
Average molar mass: 208.17 g/mol
Monoisotopic mass: 208.04840674

Names & identifiers

Preferred name: ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid
IUPAC: 2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoacetic acid

Names & synonyms

67318-05-2CEX3M8K6CM((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acidUNII-CEX3M8K6CMNSC289619NSC 289619NSC-289619[(3-Cyano-4,5-dimethyl-2-furyl)amino](oxo)acetic acidSCHEMBL5070209DTXSID00986577[(3-Cyano-4,5-dimethylfuran-2-yl)imino](hydroxy)acetic acid2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-acetic acid

Show more names

Acetic acid, 2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxo-

Database identifiers

CAS: 67318-05-2
PubChem CID: 324402
DTXSID: DTXSID00986577
UNII: CEX3M8K6CM

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 332

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Compound notes

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