AG0034DC

52986-70-6 | 6-Methoxyisoquinoline

AG0034DC

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CAS Number	52986-70-6
Catalog Number	AG0034DC(AGN-PC-0NEWH8)
Chemical Name	6-Methoxyisoquinoline
IUPAC Name	6-methoxyisoquinoline
InChI	InChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3
InChI Key	XZNUJESLPUNSNO-UHFFFAOYSA-N
MDL Number	MFCD04114861
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	n1ccc2cc(OC)ccc2(c1)
Synonyms	6-methoxyisoquinoline, 52986-70-6, 6-methoxy-isoquinoline, ISOQUINOLINE, 6-METHOXY-, MFCD04114861, 6-methoxylisoquinoline, PubChem6276, ACMC-1AZ8C, 6-isoquinolinyl methyl ether, KSC493E1L, SCHEMBL1204577, CTK3J3215, DTXSID60452920, XZNUJESLPUNSNO-UHFFFAOYSA-N, ACT10664, KS-00000E1W, ANW-31602, CM-724, ZINC16125150, AKOS005255310, AB19119, FS-3055, MCULE-6429878777, RP02086, RTC-010522, AJ-68404, AK-35505, BR-35505, EN001421, SC-67664, SY013880, AB0025309, DB-029310, ST2418981, 4CH-013040, CS-0005444, FT-0654728, W6748, S-3536, MFCD04114861 (97+%), 986M706, A829335, J-518858, Z1741975852, C10H9NO, ACN-S005141, CID11040978,

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	2.2

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