AG0076E4

39989-39-4 | 7-Methoxyisoquinoline

AG0076E4

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CAS Number	39989-39-4
Catalog Number	AG0076E4(AGN-PC-0JTH3I)
Chemical Name	7-Methoxyisoquinoline
IUPAC Name	7-methoxyisoquinoline
InChI	InChI=1S/C10H9NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-7H,1H3
InChI Key	PNNUXNXZDJVGSB-UHFFFAOYSA-N
MDL Number	MFCD09030747
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	COC1=CC2=C(C=C1)C=CN=C2
Synonyms	7-Methoxyisoquinoline, 39989-39-4, 7-Methoxy-isoquinoline, Isoquinoline, 7-methoxy-, PNNUXNXZDJVGSB-UHFFFAOYSA-N, MFCD09030747, PubChem6277, ACMC-1AJJP, Isoquinoline,7-methoxy-, AC1LC4UK, AC1Q4EZ4, 7-Isoquinolinyl methyl ether, SCHEMBL127857, 7-Isoquinolinyl methyl ether #, CTK4I2220, KS-00000FIU, DTXSID30344085, 7-methoxyisoquinoline, AldrichCPR, ACT10723, BCP16502, ANW-29241, ZINC16125153, AKOS006229955, MCULE-3426872242, PS-6083, RP02084, AC-18639, AJ-68405, AK-35027, BC213978, BL003853, CJ-15372, EN000004, SC-04224, AB0038073, DB-029376, TC-062007, FT-0658160, Y5421, EN300-58608, A26448, B-2573, AB01006047-01, 989M394, J-519297, C10H9NO, ACN-S005140, CID594375, 7-methoxyisoquinoline, 95% - 1G 1g,

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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number