AG00I4DO

22246-12-4 | 1(2H)-Isoquinolinone, 3,4-dihydro-6-methoxy-

AG00I4DO

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CAS Number	22246-12-4
Catalog Number	AG00I4DO(AGN-PC-0N7FR4)
Chemical Name	1(2H)-Isoquinolinone, 3,4-dihydro-6-methoxy-
IUPAC Name	6-methoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI	InChI=1S/C10H11NO2/c1-13-8-2-3-9-7(6-8)4-5-11-10(9)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChI Key	WLQWIZAWNPYMBR-UHFFFAOYSA-N
MDL Number	MFCD04114865
Molecular Formula	C10H11NO2
Molecular Weight	177.1998
SMILES	COC2=CC=C1C(NCCC1=C2)=O
Synonyms	6-methoxy-3,4-dihydroisoquinolin-1(2H)-one, 22246-12-4, 6-methoxy-3,4-dihydro-2H-isoquinolin-1-one, 6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-one, 1(2H)-ISOQUINOLINONE, 3,4-DIHYDRO-6-METHOXY-, 1(2H)-Isoquinolinone,3,4-dihydro-6-methoxy-, 6-(METHYLOXY)-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE, SCHEMBL379341, CTK4E8989, DTXSID30442373, WLQWIZAWNPYMBR-UHFFFAOYSA-N, ANW-50668, CM-730, MFCD04114865, ZINC14986064, AKOS006293184, AB19128, DS-0279, FS-3285, RTC-010521, KS-00000K22, AJ-66512, AK-23869, BC211927, BR-23869, CJ-14878, EN000521, AB0023514, ST2418973, TC-010521, 3,4-dihydro-6-methoxy-l(2h)-isoquinolinone, 4CH-012885, AM20030376, CS-0018999, FT-0703865, W4587, 3,4,dihydro-6-methoxy-1(2h)-isoquinolinone, 3,4,dihydro-6-methoxy-1 (2h)-isoquinolinone, 3,4-dihydro-6-methoxyisoquinolin-1-(2H)-one, 6-methoxy-3,4-dihydroisoquinoline-1(2H)-one, S-6221, 6-methoxy-1-oxo-1,2,3,4-tetrahydroisoquinoline, 6-methoxy-1,2,3,4-tetrahydro-1-oxo-isoquinoline, A816047, J-518892, S14-2515, 3,4-DIHYDRO-6-METHOXY-1(2H)-ISOQUINOLINONE, 6-METHOXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE, C10H11NO2, CID10607392, 6-Methyl-3,4-dihydroisoquinolin-1(2H)-one,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.203g/mol
Monoisotopic Mass	177.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number