88485-81-8
4,4-DIMETHYL-3-OXO-2-PHENYLPENTANENITRILE
Name
4,4-DIMETHYL-3-OXO-2-PHENYLPENTANENITRILE
Formula
C13 H15 N O
MolWeight
201.268
1Identification
【Name】
4,4-DIMETHYL-3-OXO-2-PHENYLPENTANENITRILE
【CAS】
【MDL】
MFCD11208546
【English Synonyms】
【Formula】
C13 H15 N O
【MolWeight】
201.268
【Inchi】
InChI=1S/C13H15NO/c1-13(2,3)12(15)11(9-14)10-7-5-4-6-8-10/h4-8,11H,1-3H3
【InChIKey】
InChIKey=CPKKAXQSTQDLEN-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C(=O)C(C#N)c1ccccc1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4-DIMETHYL-3-OXO-2-PHENYLPENTANENITRILE.cml
Quick Release
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Sigma-Aldrich Corporation
Catalog No:PH000555 100MG
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Catalog No:PH000555 100MG
Country/Region:United States
Business Type:Reagent Company
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