1202462-46-1
4-OXO-1-(TETRAHYDRO-2H-PYRAN-4-YL)-CYCLOHEXANECARBONITRILE
Name4-OXO-1-(TETRAHYDRO-2H-PYRAN-4-YL)-CYCLOHEXANECARBONITRILE
1Identification
【Name】
4-OXO-1-(TETRAHYDRO-2H-PYRAN-4-YL)-CYCLOHEXANECARBONITRILE
【CAS】
【MDL】
MFCD17013955
【English Synonyms】
【Formula】
C12 H17 N O2
【MolWeight】
207.271
【Inchi】
InChI=1S/C12H17NO2/c13-9-12(5-1-11(14)2-6-12)10-3-7-15-8-4-10/h10H,1-8H2
【InChIKey】
InChIKey=QLTGGHOEKDEMIY-UHFFFAOYSA-N
【SMILES】
C1COCCC1C2(CCC(=O)CC2)C#N
【MOL File】
4-OXO-1-(TETRAHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-OXO-1-(TETRAHYDRO-2H-PYRAN-4-YL)-CYCLOHEXANECARBONITRILE.cml