AG001JKT

14446-31-2 | Isoquinoline, 6-methoxy-3-methyl-

AG001JKT

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CAS Number	14446-31-2
Catalog Number	AG001JKT(AGN-PC-0WAN6F)
Chemical Name	Isoquinoline, 6-methoxy-3-methyl-
IUPAC Name	6-methoxy-3-methylisoquinoline
InChI	InChI=1S/C11H11NO/c1-8-5-10-6-11(13-2)4-3-9(10)7-12-8/h3-7H,1-2H3
InChI Key	IRFSFYPWBSAISE-UHFFFAOYSA-N
MDL Number	MFCD01846013
Molecular Formula	C11H11NO
Molecular Weight	173.2111
SMILES	CC1=CC2=C(C=N1)C=CC(OC)=C2
Synonyms	6-methoxy-3-methylisoquinoline, 14446-31-2, 6-Methoxy-3-Methyl-Isoquinoline, Isoquinoline, 6-methoxy-3-methyl-, AK141571, AC1MBM78, SCHEMBL2757281, DTXSID10372942, ZINC3848045, MFCD01846013, AKOS004907775, DS-7289, FCH1196103, AJ-45872, AX8281731, ST2401930, 4CH-019643, FT-0743710, ZINC03848045, ACN-046706, CID2752931,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.215g/mol
Monoisotopic Mass	173.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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