5488-36-8
4,4-DIMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
Name4,4-DIMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
1Identification
【Name】
4,4-DIMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
【CAS】
【MDL】
MFCD00666096
【English Synonyms】
【Formula】
C11 H11 N O2
【MolWeight】
189.213
【Inchi】
InChI=1S/C11H11NO2/c1-11(2)8-6-4-3-5-7(8)9(13)12-10(11)14/h3-6H,1-2H3,(H,12,13,14)
【InChIKey】
InChIKey=VSRVOIDBBCKMTM-UHFFFAOYSA-N
【SMILES】
CC1(c2ccccc2C(=O)NC1=O)C
【MOL File】
4,4-DIMETHYL-1,2,3,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4-DIMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE.cml