Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate

HCID 328486

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Basic information

CAS: 82698-90-6
Standard SMILES: COC(=O)C(C#N)=C1C(=O)OCC1(C)C
InChIKey: NRHFXKVYEAALQV-UHFFFAOYSA-N
Molecular formula: C10H11NO4
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.06880783

Names & identifiers

Preferred name: Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate
IUPAC: methyl 2-cyano-2-(4,4-dimethyl-2-oxooxolan-3-ylidene)acetate

Names & synonyms

82698-90-6DTXSID30316803METHYL 2-CYANO-2-(4,4-DIMETHYL-2-OXO-OXOLAN-3-YLIDENE)ACETATERefChem:354214DTXCID70267926Methyl cyano(4,4-dimethyl-2-oxooxolan-3-ylidene)acetate

Database identifiers

CAS: 82698-90-6
PubChem CID: 328486
DTXSID: DTXSID30316803

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 76.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 397

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