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Home >> Chemical Listing >> Page 2922 >> 3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile

3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
[CAS# 898756-78-0]

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Identification
Name 3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
Synonyms 3'-cyano-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
Molecular Structure CAS#: 898756-78-0, 3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
Molecular Formula C18H23NO3
Molecular Weight 301.38
CAS Registry Number 898756-78-0
SMILES N#Cc1cccc(c1)C(=O)CCCCC2OCC(C)(C)CO2
InChI 1S/C18H23NO3/c1-18(2)12-21-17(22-13-18)9-4-3-8-16(20)15-7-5-6-14(10-15)11-19/h5-7,10,17H,3-4,8-9,12-13H2,1-2H3
InChIKey GHYAOWUJSMPQQW-UHFFFAOYSA-N
Properties
Density 1.11g/cm3 (Cal.)
Boiling point 434.988°C at 760 mmHg (Cal.)
Flash point 189.976°C (Cal.)
Refractive index 1.529 (Cal.)
Safety Data
SDS Available
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