561305-79-1
2-BENZOYLHEXANENITRILE
Name
2-BENZOYLHEXANENITRILE
Formula
C13 H15 N O
MolWeight
201.268
1Identification
【Name】
2-BENZOYLHEXANENITRILE
【CAS】
【MDL】
MFCD04003935
【English Synonyms】
【Formula】
C13 H15 N O
【MolWeight】
201.268
【Inchi】
InChI=1S/C13H15NO/c1-2-3-7-12(10-14)13(15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7H2,1H3
【InChIKey】
InChIKey=KVQGIPKUSOSNAV-UHFFFAOYSA-N
【SMILES】
CCCCC(C#N)C(=O)c1ccccc1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BENZOYLHEXANENITRILE.cml
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Catalog No:561305-79-1 up to kgs
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Business Type:Others
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