68612-94-2
1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE
Name1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE
1Identification
【Name】
1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE
【CAS】
【MDL】
MFCD06658232
【EnglishSynonyms】
【pro_formula】
C13 H18 N2 O3
【pro_molWeight】
250.296
【Inchi】
InChI=1S/C13H18N2O3/c1-9(2)18-6-4-5-15-12(16)7-10(3)11(8-14)13(15)17/h7,9,16H,4-6H2,1-3H3
【InChIKey】
InChIKey=VSQJORHLXHADFP-UHFFFAOYSA-N
【SMILES】
Cc1cc(n(c(=O)c1C#N)CCCOC(C)C)O
【MOL File】
1-ISOPROXYPROPYL-1,2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE.cml