| Identification | Back Directory | [Name]
3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE | [CAS]
39528-62-6 | [Synonyms]
4-tert-Butylbenzoylacetonitrile
3-(4-tert-Butylphenyl)-3-oxopropanenitrile
Benzenepropanenitrile, 4-(1,1-dimethylethyl)-β-oxo- | [Molecular Formula]
C13H15NO | [MDL Number]
MFCD00179689 | [MOL File]
39528-62-6.mol | [Molecular Weight]
201.26 |
| Chemical Properties | Back Directory | [Boiling point ]
348.5±35.0 °C(Predicted) | [density ]
1.018±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
solid | [pka]
8.14±0.10(Predicted) | [InChI]
1S/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8H2,1-3H3 | [InChIKey]
LKZFEKFWLCDIBF-UHFFFAOYSA-N | [SMILES]
N#CCC(C1=CC=C(C=C1)C(C)(C)C)=O |
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