| Identification | Back Directory | [Name]
3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE | [CAS]
35276-81-4 | [Synonyms]
Benzenepropanenitrile, 2-Methyl-b-oxo-
Benzenepropanenitrile, 2-methyl-β-oxo-
JR-8667, 3-Oxo-3-o-tolylpropanenitrile, 97% | [EINECS(EC#)]
233-305-4 | [Molecular Formula]
C10H9NO | [MDL Number]
MFCD02260802 | [MOL File]
35276-81-4.mol | [Molecular Weight]
159.18 |
| Chemical Properties | Back Directory | [Melting point ]
81-82 °C | [Boiling point ]
310.9±25.0 °C(Predicted) | [density ]
1.081±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
solid | [pka]
7.73±0.10(Predicted) | [Appearance]
Off-white to light yellow Solid | [InChI]
1S/C10H9NO/c1-8-4-2-3-5-9(8)10(12)6-7-11/h2-5H,6H2,1H3 | [InChIKey]
DMTQMHCHBQZTOJ-UHFFFAOYSA-N | [SMILES]
N#CCC(C1=CC=CC=C1C)=O |
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