Home Indole and Oxindoles 114041-16-6
114041-16-6,MFCD02094038
Catalog No.:AA000AAG
114041-16-6 | 5,6-Dimethoxyisoindoline
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100mg
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Technical Information
Catalog Number:
AA000AAG
Chemical Name:
5,6-Dimethoxyisoindoline
CAS Number:
114041-16-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD02094038
IUPAC Name:
5,6-dimethoxy-2,3-dihydro-1H-isoindole
InChI:
InChI=1S/C10H13NO2/c1-12-9-3-7-5-11-6-8(7)4-10(9)13-2/h3-4,11H,5-6H2,1-2H3
InChI Key:
WMIINIMCTOCKNL-UHFFFAOYSA-N
SMILES:
COc1cc2CNCc2cc1OC
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
5,6-Dimethoxyisoindoline 
114041-16-6 
KS-000000WI 
FCH832360 
ZINC38534737 
AKOS000365114 
MB05818 
RL00551 
TRA0172542 
AJ-95708 
AK126552 
AM807277 
1H-Isoindole, 2,3-dihydro-5,6-dimethoxy- 
AB0047204 
AX8101744 
DB-060577 
FT-0711870 
D90100 
W-4150 
J-516543 
5,6-DIMETHOXYISOINDOLINE HCL 
(S)-1-CBZ-AMINO-2-BOC-AMINO-3-(4-BRomo-PHENYL)-PROPANE 
1253791-76-2 
5,6-DIMETHOXY-2,3-DIHYDRO-1H-ISOINDOLE 
1H-Isoindole,2,3-dihydro-5,6-dimethoxy- 
ACMC-1C8SQ 
SCHEMBL1705264 
CTK4A8570 
DTXSID80602167 
WMIINIMCTOCKNL-UHFFFAOYSA-N 
Literature
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