AG009BG9

133676-16-1 | 2-(3,4-Dimethoxyphenyl)Quinoline-4-Carboxylic Acid

AG009BG9

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CAS Number	133676-16-1
Catalog Number	AG009BG9(AGN-PC-0JUR40)
Chemical Name	2-(3,4-Dimethoxyphenyl)Quinoline-4-Carboxylic Acid
IUPAC Name	2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
InChI	InChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(20)21)12-5-3-4-6-14(12)19-15/h3-10H,1-2H3,(H,20,21)
InChI Key	XJSXKUVHNQWOPH-UHFFFAOYSA-N
MDL Number	MFCD00219544
Molecular Formula	C18H15NO4
Molecular Weight	309.3160
SMILES	O=C(C1=CC(C2=CC=C(OC)C(OC)=C2)=NC3=CC=CC=C13)O
Synonyms	133676-16-1, 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid, 2-(3,4-Dimethoxy-phenyl)-quinoline-4-carboxylic acid, 2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylicacid, 2-(3,4-Dimethoxyphenyl)-4-quinolinecarboxylic acid, 4-Quinolinecarboxylicacid, 2-(3,4-dimethoxyphenyl)-, PubChem6196, AC1LDRN7, ACMC-1C2TJ, AC1Q4C7T, AC1Q4C8N, Oprea1_175304, Oprea1_655784, SCHEMBL42477, AK-968/37166244, ARONIS017251, CHEMBL2049024, CTK0I1677, ZINC35852, DTXSID30350106, XJSXKUVHNQWOPH-UHFFFAOYSA-N, HMS1609E17, ALBB-000428, KS-000049PR, 3829AD, BBL012120, MFCD00219544, SBB001269, STK089440, AKOS000114792, CCG-105074, MCULE-3101783655, RTR-004573, AJ-08651, ST005654, DB-042194, TR-004573, FT-0608524, R2634, EN300-00813, 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylicacid, SR-01000409361, I04-5026, SR-01000409361-1, C18H15NO4, CID673703, 2- -QUINOLINE-4-CARBOXYLICACID,

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	309.1g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	309.321g/mol
Monoisotopic Mass	309.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	68.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

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