AG003MWD

3222-49-9 | 5-Methylnicotinic acid

AG003MWD

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CAS Number	3222-49-9
Catalog Number	AG003MWD(AGN-PC-0JNTBJ)
Chemical Name	5-Methylnicotinic acid
EC Number	608-720-2
IUPAC Name	5-methylpyridine-3-carboxylic acid
InChI	InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
InChI Key	DJDHHXDFKSLEQY-UHFFFAOYSA-N
MDL Number	MFCD00829036
Molecular Formula	C7H7NO2
Molecular Weight	137.1360
NSC Number	82649
SMILES	C1=C(C=NC=C1C)C(O)=O
Synonyms	5-Methylnicotinic acid, 3222-49-9, 5-methylpyridine-3-carboxylic acid, 5-Methyl-nicotinic acid, 5-methyl nicotinic acid, MFCD00829036, CHEMBL247132, DJDHHXDFKSLEQY-UHFFFAOYSA-N, 3-Pyridinecarboxylic acid, 5-methyl-, 5-METHYL-3-PYRIDINECARBOXYLIC ACID, 5-Methylnicotinic acid, 97%, 5-methyinicotinic acid, PubChem11961, 5-methyl nicotinic aicd, ACMC-1AFVP, EC 608-720-2, AC1L5U3L, AC1Q5UC0, Nicotinic acid, 5-methyl-, 5-METHYLNICOTIC ACID, NCIOpen2_001043, KSC222G7T, SCHEMBL185789, GTPL1592, Jsp005966, CTK1C2379, DTXSID60292444, ZINC157726, ACN-S004138, ACT02404, EBD35653, KS-000003YJ, NSC82649, AC-616, ANW-27307, BDBM50216534, CM-616, NSC-82649, SBB028459, AKOS005256160, ACN-036234, CS-W002700, MCULE-4739873978, PB12710, PS-4181, RP01108, RTR-013584, TRA0000161, AJ-15095, AK-23837, AN-15678, BC212576, BR-23837, SC-19769, SY004561, 3-METHYL-5-PYRIDINECARBOXYLIC ACID, 5-Methylpyridine-3-carboxylic acid, 97%, AB0018032, AB1005840, DB-007085, TL8002449, TR-013584, AM20070133, FT-0601124, ST24033059, EN300-82869, C-1261, MFCD00829036 (97+%), 222M499, I02-0291, W-202324, Z1741965556, D0ET2F, C7H7NO2, AR-1G9038, CID256208, 5-Methylnicotinic acid, 98% - 1G 1g, R177, 32448-80-9,

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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