AG003949

4021-12-9 | 3-Methyl-4-pyridinecarboxylic acid

AG003949

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CAS Number	4021-12-9
Catalog Number	AG003949(AGN-PC-0K63VF)
Chemical Name	3-Methyl-4-pyridinecarboxylic acid
IUPAC Name	3-methylpyridine-4-carboxylic acid
InChI	InChI=1S/C7H7NO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4H,1H3,(H,9,10)
InChI Key	OSMAGAVKVRGYGR-UHFFFAOYSA-N
MDL Number	MFCD00128870
Molecular Formula	C7H7NO2
Molecular Weight	137.1360
SMILES	CC=1C=NC=CC1C(=O)O
Synonyms	3-methylisonicotinic acid, 4021-12-9, 3-Methyl-4-pyridinecarboxylic acid, 3-Methyl-isonicotinic acid, 3-methylpyridine-4-carboxylic acid, 3-METHYL ISONICOTINIC ACID, 4-PYRIDINECARBOXYLIC ACID, 3-METHYL-, 3-methyl-4-pyridinylcarboxic acid, 3-methyl iso nicotinic acid, 40211-20-9, 3-Methyl-isonicotinicacid, PubChem19851, ASN 07668195, methyl isonicotinic acid, AC1LT3WX, SCHEMBL115797, CTK4I2662, OSMAGAVKVRGYGR-UHFFFAOYSA-N, ACT09208, ALBB-031683, BCP06101, ZINC1420691, ANW-74974, MFCD00128870, SBB028020, STK318025, AKOS000303076, CS-W004445, MCULE-4068777983, PB12103, RP20331, RP20344, SB19898, NCGC00329951-01, AC-24621, AJ-25790, AK-30383, AS-11274, BC222643, BR-30383, EN001166, SC-48966, DB-081328, ST2410799, TX-010338, 4CH-015617, AM20051159, BB 0237404, C2172, FT-0083046, FT-0646820, ST50331885, 3-methyl-4-pyridinecarboxylic acid, AldrichCPR, M-3374, M20358, AB00443362-03, I02-1148, I02-3374, J-512910, C7H7NO2, ACN-028330, CID1502003, A1325,

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

Certificate of Analysis

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