AG003MZC

887976-16-1 | 6-(3-Methoxyphenyl)nicotinic acid

AG003MZC

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CAS Number	887976-16-1
Catalog Number	AG003MZC(AGN-PC-04Q6I3)
Chemical Name	6-(3-Methoxyphenyl)nicotinic acid
IUPAC Name	6-(3-methoxyphenyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C13H11NO3/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14-12)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key	IMCPEUZGVSCIJS-UHFFFAOYSA-N
MDL Number	MFCD06410401
Molecular Formula	C13H11NO3
Molecular Weight	229.2313
SMILES	O=C(O)C1=CN=C(C2=CC=CC(OC)=C2)C=C1
Synonyms	6-(3-Methoxyphenyl)nicotinic acid, 887976-16-1, 3-Pyridinecarboxylicacid, 6-(3-methoxyphenyl)-, 6-(3-methoxyphenyl)-nicotinic acid, 6-(3-Methoxyphenyl)-3-pyridinecarboxylic acid, 6-(3-METHOXYPHENYL)PYRIDINE-3-CARBOXYLIC ACID, SCHEMBL2251685, CTK3E7154, KS-00000CQA, DTXSID70647027, 6-(3-Methoxyphenyl)nicotinicAcid, ANW-71445, MFCD06410401, ZINC20442004, AKOS016007446, AB24368, TRA0033393, AJ-77627, AK-83985, AM808254, SY015584, TS-03267, AX8238682, DB-024250, TX-017251, 4CH-024260, FT-0746638, ST24045024, X6109, Z-4325, MFCD06410401 (95+%), 6- -nicotinicacid, C14H12O3,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.074g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.235g/mol
Monoisotopic Mass	229.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^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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