AG003LSM

3222-50-2 | 4-Methylnicotinic acid

AG003LSM

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CAS Number	3222-50-2
Catalog Number	AG003LSM(AGN-PC-0JO7XF)
Chemical Name	4-Methylnicotinic acid
IUPAC Name	4-methylpyridine-3-carboxylic acid
InChI	InChI=1S/C7H7NO2/c1-5-2-3-8-4-6(5)7(9)10/h2-4H,1H3,(H,9,10)
InChI Key	ZKUZSTXNVMIDCY-UHFFFAOYSA-N
MDL Number	MFCD00128869
Molecular Formula	C7H7NO2
Molecular Weight	137.1360
NSC Number	22592
SMILES	C1=NC=CC(=C1C(O)=O)C
Synonyms	4-Methylnicotinic acid, 3222-50-2, 4-Methylpyridine-3-carboxylic acid, 4-Methylpyridine-3-carboxylicacid, 4-Methyl-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 4-methyl-, 4-Methyl-nicotinic acid, 4-Methylpyridine-3-carboxylic acid, 97%, MFCD00128869, NSC22592, PubChem16270, AC1L5GRG, AC1Q2ETR, ACMC-1AGS3, KSC223O4T, SCHEMBL258230, Jsp005967, CHEMBL1551493, CTK1C3749, DTXSID40281715, ZKUZSTXNVMIDCY-UHFFFAOYSA-N, ACT02436, BCP26754, KS-000003QI, ZINC2582042, 3-Pyridinecarboxylicacid, 4-methyl-, ANW-51061, NSC-22592, SBB018540, STK693803, AKOS000271608, AC-2931, CM-1519, CS-W002396, MCULE-3830443009, PB17119, QC-3975, RP01109, RTR-013585, SB10537, TRA0036782, NCGC00166267-01, NCGC00166267-02, AJ-43063, AK-34679, AN-13456, BR-34679, EN003061, SC-12886, TS-01767, AB0024189, AB1001593, DB-005357, ST2411542, ST4144179, TR-013585, 4CH-015990, AM20051066, FT-0082831, FT-0600278, W5407, EN300-84041, S-2560, AB00443361-03, 222M502, I02-0292, J-018682, J-515816, F1957-0023, Z199468010, 4-methylnicotinic acid;4-Methyl-3-pyridinecarboxylic acid, 4-methylnicotinicacid, C7H7NO2, CID229163, ACN-028331, 4-Methylnicotinic acid, 97.5% - 1g 1g, A5793, 4-methylpyridine-3-carboxylic Acid Hydrochloride, 94015-05-1,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	137.138g/mol
Monoisotopic Mass	137.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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