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3-Isopropyl-2-Methylbenzonitrile
[CAS# 127451-01-8]

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Identification
Name 3-Isopropyl-2-Methylbenzonitrile
Synonyms 3-isopropyl-2-methylbenzonitrile
Molecular Structure CAS#: 127451-01-8, 3-Isopropyl-2-Methylbenzonitrile
Molecular Formula C11H13N
Molecular Weight 159.23
CAS Registry Number 127451-01-8
SMILES Cc1c(cccc1C(C)C)C#N
InChI 1S/C11H13N/c1-8(2)11-6-4-5-10(7-12)9(11)3/h4-6,8H,1-3H3
InChIKey GIHWPJUNJCVENC-UHFFFAOYSA-N
Properties
Density 0.96g/cm3 (Cal.)
Boiling point 236.811°C at 760 mmHg (Cal.)
Flash point 96.926°C (Cal.)
Refractive index 1.513 (Cal.)
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