AG00GS7Z

94015-05-1 | 4-Methylnicotinic acid hydrochloride

AG00GS7Z

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CAS Number	94015-05-1
Catalog Number	AG00GS7Z(AGN-PC-0KL8AF)
Chemical Name	4-Methylnicotinic acid hydrochloride
IUPAC Name	4-methylpyridine-3-carboxylic acid;hydrochloride
InChI	InChI=1S/C7H7NO2.ClH/c1-5-2-3-8-4-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
InChI Key	QNKFCIXWPNMUAH-UHFFFAOYSA-N
MDL Number	MFCD00832700
Molecular Formula	C7H8ClNO2
Molecular Weight	173.5969
SMILES	O=C(O)C1=CN=CC=C1C.[H]Cl
Synonyms	4-Methylnicotinic acid Hydrochloride, 94015-05-1, 4-methylpyridine-3-carboxylic Acid Hydrochloride, 4-METHYLNICOTINIC ACID HCL, MFCD00832700, AK-75600, 4-Methyl-nicotinic acid hydrochloride, AC1MDVSL, ACMC-209wrr, SCHEMBL1536025, CTK3I8099, DTXSID90383834, QNKFCIXWPNMUAH-UHFFFAOYSA-N, KS-00000O7A, ZX-AT010755, 4-methyl nicotinic acid hydrochloride, 4-methylnicotinic acid hydrochloride;, ANW-46741, OR0651, SBB028489, AKOS015844280, AM81221, DS-1807, EBD1104120, MCULE-2967865061, RTR-029385, 4-methylnicotinic acid monohydrochloride, 4-methylnicotinic acid hydrochloride salt, 4-methylnicotinic acid monohydrochloride;, CC-19940, SC-46151, TS-02389, AB0027775, AX8099069, DB-057460, ST2418490, TR-029385, 4-methylpyridine-3-carboxylic acid, chloride, 4CH-015991, FT-0619092, ST50407298, W9651, M-6969, 4-methyl-3-pyridinecarboxylic acid hydrochloride, 4-methylnicotinic acid hydrochloride, AldrichCPR, 015M051, 4-methyl-3-pyridinecarboxylic acid hydrochloride;, 4-methylpyridine-3-carboxylic acid hydrochloride;, C-32433, I02-2711, 3-Pyridinecarboxylic acid, 4-methyl-, hydrochloride (1:1), 3-Pyridinecarboxylicacid, 4-methyl-, hydrochloride (1:1), C7H8ClNO2, ACN-S005122, CID2796506, 4-methylpyridine-3-carboxylic acid (hydrochloride),

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.024g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	173.596g/mol
Monoisotopic Mass	173.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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