3,3,4,4-Tetramethoxy-2-phenylcyclobutene-1-carbonitrile

HCID 338799

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Basic information

CAS: 56069-67-1
Standard SMILES: COC1(OC)C(C#N)=C(c2ccccc2)C1(OC)OC
InChIKey: KZTAASCXLYJWEM-UHFFFAOYSA-N
Molecular formula: C15H17NO4
Average molar mass: 275.3 g/mol
Monoisotopic mass: 275.11575802

Names & identifiers

Preferred name: 3,3,4,4-Tetramethoxy-2-phenylcyclobutene-1-carbonitrile
IUPAC: 3,3,4,4-tetramethoxy-2-phenylcyclobutene-1-carbonitrile

Names & synonyms

NSC36288956069-67-1DTXSID30320662NSC-362889DS-0138863,3,4,4-tetramethoxy-2-phenyl-cyclobutene-1-carbonitrile3,3,4,4-Tetramethoxy-2-phenylcyclobut-1-ene-1-carbonitrile

Database identifiers

CAS: 56069-67-1
PubChem CID: 338799
DTXSID: DTXSID30320662

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 60.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 434

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