AG006U28

15248-39-2 | 6,7-Dimethoxyisoquinoline

AG006U28

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CAS Number	15248-39-2
Catalog Number	AG006U28(AGN-PC-0JNEHO)
Chemical Name	6,7-Dimethoxyisoquinoline
IUPAC Name	6,7-dimethoxyisoquinoline
InChI	InChI=1S/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3
InChI Key	JAJVYESKUNMYPN-UHFFFAOYSA-N
MDL Number	MFCD00666134
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	O(C)c1cc2c(cc1OC)cncc2
Synonyms	6,7-dimethoxyisoquinoline, 15248-39-2, Backebergine, isoquinoline, 6,7-dimethoxy-, ACMC-209d7s, 6,7-dimethoxy-isoquinoline, C09348, AC1L42TS, Isoquinoline,6,7-dimethoxy-, CHEBI:2971, SCHEMBL1271246, CTK4C7455, DTXSID50165032, JAJVYESKUNMYPN-UHFFFAOYSA-N, HMS1715O23, ZINC401194, KS-000013DR, ANW-21398, MFCD00666134, AKOS001041934, MCULE-6882343029, AJ-21795, AS-43814, CJ-03755, ZB012842, DB-063946, ST2406366, TR-006288, D4089, FT-0692839, W3326, B-3762, 248D392, A809316, J-008924, Z57008877, I14-107298, InChI=1/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H, C11H11NO2, CID177578,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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