AG000AD8

114041-16-6 | 1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-

AG000AD8

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CAS Number	114041-16-6
Catalog Number	AG000AD8(AGN-PC-02M2D9)
Chemical Name	1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-
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
MDL Number	MFCD02094038
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	COC1=CC2=C(C=C1OC)CNC2
Synonyms	5,6-Dimethoxyisoindoline, 114041-16-6, 1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-, 5,6-DIMETHOXY-2,3-DIHYDRO-1H-ISOINDOLE, 1H-Isoindole,2,3-dihydro-5,6-dimethoxy-, ACMC-1C8SQ, SCHEMBL1705264, CTK4A8570, DTXSID80602167, WMIINIMCTOCKNL-UHFFFAOYSA-N, KS-000000WI, FCH832360, ZINC38534737, AKOS000365114, MB05818, RL00551, TRA0172542, AJ-95708, AK126552, AM807277, 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,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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