AG00C6KQ

36034-54-5 | 4-Methoxyisoquinoline

AG00C6KQ

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CAS Number	36034-54-5
Catalog Number	AG00C6KQ(AGN-PC-0H0SMS)
Chemical Name	4-Methoxyisoquinoline
IUPAC Name	4-methoxyisoquinoline
InChI	InChI=1S/C10H9NO/c1-12-10-7-11-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChI Key	YZGFLHYYILUCCS-UHFFFAOYSA-N
MDL Number	MFCD01646265
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	COC1=CN=CC2=CC=CC=C12
Synonyms	4-methoxyisoquinoline, 36034-54-5, 4-Methoxy-isoquinoline, AK-39644, 4-methoxy isoquinoline, AC1MX6EX, SCHEMBL1536378, CTK8B5739, DTXSID00396379, YZGFLHYYILUCCS-UHFFFAOYSA-N, ACT10464, CS-D0173, KS-00000I9H, ZINC5586970, ANW-49891, MFCD01646265, AKOS015852347, DS-1018, FCH1183776, FS-3118, RP22270, AJ-54353, BR-39644, CJ-12664, AB0024470, AX8165726, DB-028956, TC-061988, 4CH-009091, FT-0715119, ST24029157, W5750, A26435, S-4545, 034M545, J-515668, C10H9NO, ACN-S005143, CID3785489,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number