AG007MLX

26829-43-6 | 6-METHOXYISOQUINOLIN-1-OL

AG007MLX

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CAS Number	26829-43-6
Catalog Number	AG007MLX(AGN-PC-03H972)
Chemical Name	6-METHOXYISOQUINOLIN-1-OL
IUPAC Name	6-methoxy-2H-isoquinolin-1-one
InChI	InChI=1S/C10H9NO2/c1-13-8-2-3-9-7(6-8)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
InChI Key	DDLJWWYULDUBGA-UHFFFAOYSA-N
MDL Number	MFCD12405870
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	COC1=CC2=C(C=C1)C(=O)NC=C2
Synonyms	6-methoxyisoquinolin-1(2H)-one, 26829-43-6, 6-methoxyisoquinolin-1-ol, 6-Methoxy-isoquinolin-1-ol, 1(2H)-Isoquinolinone, 6-methoxy-, 6-methoxy-2H-isoquinolin-1-one, 6-methoxyisoquinolone, 6-Methoxyisoquinoline-1-ol, SCHEMBL374997, CTK8C2593, DTXSID70619527, DDLJWWYULDUBGA-UHFFFAOYSA-N, KS-00000PD2, ANW-68651, CL1037, MFCD12405870, ZINC33358960, AKOS015919105, AB64610, CS-W005589, MCULE-3764704516, 6-methoxy-1,2-dihydroisoquinolin-1-one, AJ-85886, AK-76130, BC653001, EN000519, NS-01439, QC-11443, SC-52418, AB0087338, DB-067684, FT-0659681, X-1721, A818621, S08-0057,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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