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3-Oxo-2-Phenylpropanenitrile
[CAS# 135737-14-3]

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Identification
Name 3-Oxo-2-Phenylpropanenitrile
Synonyms 2-cyano-2-phenylacetaldehyde; 2-Formyl-2-phenylacetonitrile
Molecular Structure CAS#: 135737-14-3, 3-Oxo-2-Phenylpropanenitrile
Molecular Formula C9H7NO
Molecular Weight 145.16
CAS Registry Number 135737-14-3
SMILES O=CC(C#N)c1ccccc1
InChI 1S/C9H7NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,9H
InChIKey MGDKAIHGKFPFTO-UHFFFAOYSA-N
Properties
Density 1.115g/cm3 (Cal.)
Melting point 153-155°C (Expl.)
Boiling point 242.663°C at 760 mmHg (Cal.)
Flash point 100.559°C (Cal.)
Refractive index 1.535 (Cal.)
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