13730-09-1
2,5-DIMETHYLBENZONITRILE
Name
2,5-DIMETHYLBENZONITRILE
Formula
C9H9N
MolWeight
131.177
1Identification
【Name】
2,5-DIMETHYLBENZONITRILE
【CAS】
【MDL】
MFCD00001793
【English Synonyms】
【Formula】
C9H9N
【MolWeight】
131.177
【Inchi】
InChI=1S/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H3
【InChIKey】
InChIKey=OZOQTENKIVKILK-UHFFFAOYSA-N
【SMILES】
CC1=C(C#N)C=C(C=C1)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:2.63
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
Oakwood Products, Inc. :2,5-DIMETHYLBENZONITRILE
4CML File
2,5-DIMETHYLBENZONITRILE.cml
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