60549-63-5
2,2-DIMETHYLTETRAHYDRO-2H-PYRAN-4-CARBONITRILE
Name2,2-DIMETHYLTETRAHYDRO-2H-PYRAN-4-CARBONITRILE
1Identification
【Name】
2,2-DIMETHYLTETRAHYDRO-2H-PYRAN-4-CARBONITRILE
【CAS】
【MDL】
MFCD11054007
【English Synonyms】
【Formula】
C8 H13 N O
【MolWeight】
139.197
【Inchi】
InChI=1S/C8H13NO/c1-8(2)5-7(6-9)3-4-10-8/h7H,3-5H2,1-2H3
【InChIKey】
InChIKey=AEXZSVDYGIOBAK-UHFFFAOYSA-N
【SMILES】
CC1(CC(CCO1)C#N)C
【MOL File】
2,2-DIMETHYLTETRAHYD….mol
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
2,2-DIMETHYLTETRAHYDRO-2H-PYRAN-4-CARBONITRILE.cml