55795-81-8
2H-PYRAN-4-CARBONITRILE, 4-CHLOROTETRAHYDRO-2,2-DIMETHYL-
Name2H-PYRAN-4-CARBONITRILE, 4-CHLOROTETRAHYDRO-2,2-DIMETHYL-
1Identification
【Name】
2H-PYRAN-4-CARBONITRILE, 4-CHLOROTETRAHYDRO-2,2-DIMETHYL-
【CAS】
【MDL】
MFCD18073264
【English Synonyms】
【Formula】
C8 H12 Cl N O
【MolWeight】
173.642
【Inchi】
InChI=1S/C8H12ClNO/c1-7(2)5-8(9,6-10)3-4-11-7/h3-5H2,1-2H3
【InChIKey】
InChIKey=IYDDHDYMMVJXBL-UHFFFAOYSA-N
【SMILES】
CC1(CC(CCO1)(C#N)Cl)C
【MOL File】
2H-PYRAN-4-CARBONITR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-PYRAN-4-CARBONITRILE, 4-CHLOROTETRAHYDRO-2,2-DIMETHYL-.cml