AG0033E9

4021-11-8 | 2-Methylisonicotinic acid

AG0033E9

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CAS Number	4021-11-8
Catalog Number	AG0033E9(AGN-PC-0KKP3H)
Chemical Name	2-Methylisonicotinic acid
IUPAC Name	2-methylpyridine-4-carboxylic acid
InChI	InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)
InChI Key	PMDHIMMPXRSDML-UHFFFAOYSA-N
MDL Number	MFCD00513435
Molecular Formula	C7H7NO2
Molecular Weight	137.1360
SMILES	CC=1C=C(C(=O)O)C=CN1
Synonyms	2-methylisonicotinic acid, 4021-11-8, 2-methylpyridine-4-carboxylic acid, 2-methyl-4-pyridinecarboxylic acid, 2-Methyl-isonicotinic acid, 4-Pyridinecarboxylic acid, 2-methyl-, MFCD00513435, 2-Methylpyridine-4-carboxylic acid, 97%, 2-MethylisonicotinicAcid, ACMC-20a0jw, 2-methylisonicotinic aicd, 4-Carboxy-2-methylpyridine, AC1MC7E4, methylisonicotinic acid(2-), Oprea1_070862, SCHEMBL353289, AMPD00036, CTK1D5590, DTXSID30376482, PMDHIMMPXRSDML-UHFFFAOYSA-N, WT652, ZINC405405, 6-methylpyridine-4-carboxylic acid, ACT01467, EBD50616, KS-000001UA, KS-00003K8K, 2-methyl-pyridine-4-carboxylic acid, 4-Pyridinecarboxylicacid, 2-methyl-, ANW-51642, BBL100119, SBB052953, STK367169, AKOS005206893, AB06393, CM-1117, CS-W008764, EG-0714, MCULE-7190658769, RP01104, 4021-11-8 2-methylisonicotinic acid, TRA-0205823, AC-23149, AJ-22450, AK-23516, BR-23516, SC-26501, SY013049, DB-005252, ST2417097, TR-016056, 4CH-013788, AM20070141, C2649, FT-0083057, FT-0600223, M2602, ST50871538, W6067, MFCD00513435 (97%), M67424, S-2632, 021M118, I02-1920, W-204280, Z1741970668, C7H7NO2, 3-Methylpicolinic acid, 98%, RW1745, ACN-025367, CID2762821, A1324, 2-Methylpyridine-4-carboxylic acid, 97% - 1G 1g,

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	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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