AG00BEW8

22246-66-8 | 5-Methoxy-2,3-dihydro-isoindol-1-one

AG00BEW8

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CAS Number	22246-66-8
Catalog Number	AG00BEW8(AGN-PC-03JVH0)
Chemical Name	5-Methoxy-2,3-dihydro-isoindol-1-one
IUPAC Name	5-methoxy-2,3-dihydroisoindol-1-one
InChI	InChI=1S/C9H9NO2/c1-12-7-2-3-8-6(4-7)5-10-9(8)11/h2-4H,5H2,1H3,(H,10,11)
InChI Key	VVXUPZRABQQCKL-UHFFFAOYSA-N
MDL Number	MFCD08437636
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
SMILES	COC=1C=C2CNC(C2=CC1)=O
Synonyms	5-methoxyisoindolin-1-one, 22246-66-8, 5-METHOXY-2,3-DIHYDRO-ISOINDOL-1-ONE, 1H-Isoindol-1-one, 2,3-dihydro-5-methoxy-, 5-methoxy-2,3-dihydroisoindol-1-one, 5-METHOXY-2,3-DIHYDRO-1H-ISOINDOL-1-ONE, ACMC-1CLBZ, 5-Methoxy-1-isoindolinone, SCHEMBL2023021, CTK4E8993, DTXSID00622226, VVXUPZRABQQCKL-UHFFFAOYSA-N, ANW-24791, MFCD08437636, ZINC44068845, AKOS006282944, AB45189, CM-2280, MCULE-6322751500, RL02688, AC-30461, CJ-20404, DS-16571, SC-20126, AB0048223, AB1006327, AJ-109112, DB-011488, TC-113536, 1H-Isoindol-1-one,2,3-dihydro-5-methoxy-, 4CH-005500, AM20120496, BB 0260592, FT-0713333, V4470, B-7976, 5-methoxy-2,3-dihydro-isoindol-1-one, AldrichCPR, I14-40333, F2196-0039, 5-Methoxy-2,3-dihydroisoindol-1-one; 5-Methoxyisoindolin-1-one, C9H9NO2, AK-89608,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.176g/mol
Monoisotopic Mass	163.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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