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3-(1,3-Benzodioxol-5-Yl)Propanenitrile
[CAS# 5703-61-7]

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Identification
Name 3-(1,3-Benzodioxol-5-Yl)Propanenitrile
Synonyms 3-(2H-1,3-benzodioxol-5-yl)propanenitrile; 3-Benzo[1,3]dioxol-5-yl-propionitrile
Molecular Structure CAS#: 5703-61-7, 3-(1,3-Benzodioxol-5-Yl)Propanenitrile
Molecular Formula C10H9NO2
Molecular Weight 175.18
CAS Registry Number 5703-61-7
SMILES C1OC2=C(O1)C=C(C=C2)CCC#N
InChI 1S/C10H9NO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6H,1-2,7H2
InChIKey WCEKXUNMOYEMDZ-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 340.1±11.0°C at 760 mmHg (Cal.)
Flash point 144.2±12.5°C (Cal.)
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