AG000HBA

1159822-61-3 | 1H-Isoindole, 2,3-dihydro-5-methoxy-, hydrochloride (1:1)

AG000HBA

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CAS Number	1159822-61-3
Catalog Number	AG000HBA(AGN-PC-08XZQK)
Chemical Name	1H-Isoindole, 2,3-dihydro-5-methoxy-, hydrochloride (1:1)
IUPAC Name	5-methoxy-2,3-dihydro-1H-isoindole;hydrochloride
InChI	InChI=1S/C9H11NO.ClH/c1-11-9-3-2-7-5-10-6-8(7)4-9;/h2-4,10H,5-6H2,1H3;1H
InChI Key	KXUMTVFTWNZMDR-UHFFFAOYSA-N
MDL Number	MFCD09997806
Molecular Formula	C9H12ClNO
Molecular Weight	185.6507
SMILES	COC1=CC2=C(CNC2)C=C1.[H]Cl
Synonyms	5-Methoxyisoindoline hydrochloride, 1159822-61-3, 5-methoxy-2,3-dihydro-1h-isoindole hydrochloride, 5-methoxy-2,3-dihydro-1H-isoindole;hydrochloride, 5-Methoxyisoindoline, HCl, SCHEMBL3126387, CTK8B7439, DTXSID40679350, KXUMTVFTWNZMDR-UHFFFAOYSA-N, 5-Methoxyisoindoline hydrochloride, KS-00000HT1, ANW-57295, MFCD09997806, 5-methoxyisoindoline hydrogen chloride, AKOS016001538, CS-W006624, MP-0381, AK-37538, DS-12756, AB0047235, TC-146040, ST24029509, Z3916, 1H-Isoindole, 2,3-dihydro-5-methoxy-, hydrochloride (1:1), 5-Methoxy-2,3-dihydro-1H-isoindole--hydrogen chloride (1/1), 5-Methoxyisoindoline HCl, C9H12ClNO, 5-Methoxyisoindolinehydrochloride, ACN-034595, 127168-88-1,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.651g/mol
Monoisotopic Mass	185.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	21.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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