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3-(4-Isopropylphenyl)-3-Oxopropanenitrile
[CAS# 199102-70-0]

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Identification
Name 3-(4-Isopropylphenyl)-3-Oxopropanenitrile
Synonyms 3-oxo-3-[4-(propan-2-yl)phenyl]propanenitrile; MFCD06357384; ZINC03887909
Molecular Structure CAS#: 199102-70-0, 3-(4-Isopropylphenyl)-3-Oxopropanenitrile
Molecular Formula C12H13NO
Molecular Weight 187.24
CAS Registry Number 199102-70-0
SMILES N#CCC(=O)c1ccc(cc1)C(C)C
InChI 1S/C12H13NO/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13/h3-6,9H,7H2,1-2H3
InChIKey WHPGQMYJLCNLLE-UHFFFAOYSA-N
Properties
Density 1.035g/cm3 (Cal.)
Boiling point 349.252°C at 760 mmHg (Cal.)
Flash point 165.022°C (Cal.)
Refractive index 1.52 (Cal.)
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List of Reports Available for 3-(4-Isopropylphenyl)-3-Oxopropanenitrile
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