2-(4-Cyanophenyl)-2-methyloxirane

HCID 59902

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Basic information

CAS: 104953-00-6
Standard SMILES: CC1OC1c1ccc(C#N)cc1
InChIKey: WJJRNYZKTUGJKE-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Names & identifiers

Preferred name: 2-(4-Cyanophenyl)-2-methyloxirane
IUPAC: 4-(3-methyloxiran-2-yl)benzonitrile

Names & synonyms

2-(4-Cyanophenyl)-2-methyloxiraneCCRIS 2734Benzonitrile, p-(1-methylepoxyethyl)-BENZONITRILE, 4-(2-METHYLOXIRANYL)-4-(3-methyloxiran-2-yl)benzonitrileDTXSID70909278

Database identifiers

CAS: 104953-00-6
PubChem CID: 59902
DTXSID: DTXSID70909278

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 36.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 209

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