2-Methoxy-3,3-dimethyl-2-[4-(4-nitrophenyl)phenyl]oxirane

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Basic information

CAS: 7508-83-0
Standard SMILES: COC1(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)OC1(C)C
InChIKey: IBKUAHHHJMVQLB-UHFFFAOYSA-N
Molecular formula: C17H17NO4
Average molar mass: 299.32 g/mol
Monoisotopic mass: 299.11575802

Names & identifiers

Preferred name: 2-Methoxy-3,3-dimethyl-2-[4-(4-nitrophenyl)phenyl]oxirane
IUPAC: 2-methoxy-3,3-dimethyl-2-[4-(4-nitrophenyl)phenyl]oxirane
English name: 2-methoxy-3,3-dimethyl-2-[4-(4-nitrophenyl)phenyl]oxirane
Molecular formula: C17H17NO4
Molecular weight: 0

Names & synonyms

2-methoxy-3,3-dimethyl-2-[4-(4-nitrophenyl)phenyl]oxirane7508-83-0NSC407110DTXSID00324576NSC-4071102-Methoxy-3,3-dimethyl-2-(4'-nitro[1,1'-biphenyl]-4-yl)oxirane

Database identifiers

CAS: 7508-83-0
PubChem CID: 348073
DTXSID: DTXSID00324576

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 67.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 417

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Compound notes

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