AG00AAZ3

1723-70-2 | 8-Methoxyisoquinoline

AG00AAZ3

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CAS Number	1723-70-2
Catalog Number	AG00AAZ3(AGN-PC-00IRX3)
Chemical Name	8-Methoxyisoquinoline
IUPAC Name	8-methoxyisoquinoline
InChI	InChI=1S/C10H9NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-7H,1H3
InChI Key	HHZGHKIHHIKUHK-UHFFFAOYSA-N
MDL Number	MFCD09258766
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	COC1=CC=CC2=C1C=NC=C2
Synonyms	8-methoxyisoquinoline, 1723-70-2, 8-methoxy-isoquinoline, ISOQUINOLINE, 8-METHOXY-, MFCD09258766, PubChem6279, Isoquinoline,8-methoxy-, ACMC-209e4g, 8-Methoxy-2-azanaphthalene, AN-584/42206184, Isoquinolin-8-yl methyl ether, SCHEMBL1491286, CTK4D4211, KS-00002ALD, DTXSID10474778, HHZGHKIHHIKUHK-UHFFFAOYSA-N, ACT10753, ANW-22574, SBB087367, ZINC16125156, AKOS006346258, AB49764, AC-9602, CM-1889, PS-6084, AJ-68406, AN-49779, CJ-15373, SC-04594, SY026448, AB0059766, DB-012347, TC-062011, 4CH-023863, FT-0654789, ST24045803, V3770, MFCD09258766 (95%), B-2640, 723M702, J-010812, C10H9NO, ACN-S005139, 8-methoxyisoquinoline, 95% - 1G 1g, CID11959084, A3800,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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