72152-84-2
2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIEN-1-YLCARBONITRILE
Name2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIEN-1-YLCARBONITRILE
1Identification
【Name】
2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIEN-1-YLCARBONITRILE
【CAS】
【MDL】
MFCD09753541
【English Synonyms】
【Formula】
C10 H13 N
【MolWeight】
147.22
【Inchi】
InChI=1S/C10H13N/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5H,6H2,1-3H3
【InChIKey】
InChIKey=MDBKXUUTSLSJDH-UHFFFAOYSA-N
【SMILES】
CC1=C(C(CC=C1)(C)C)C#N
【MOL File】
2,6,6-TRIMETHYLCYCLO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIEN-1-YLCARBONITRILE.cml