AG002Z3F

29681-45-6 | 3-Pyridinecarboxylic acid, 5-methyl-, methyl ester

AG002Z3F

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CAS Number	29681-45-6
Catalog Number	AG002Z3F(AGN-PC-0JNTDK)
Chemical Name	3-Pyridinecarboxylic acid, 5-methyl-, methyl ester
IUPAC Name	methyl 5-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H9NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h3-5H,1-2H3
InChI Key	KQILMMLAGGFMCM-UHFFFAOYSA-N
MDL Number	MFCD01075739
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
NSC Number	83076
SMILES	C1=C(C=NC=C1C)C(OC)=O
Synonyms	Methyl 5-Methylnicotinate, 29681-45-6, methyl 5-methylpyridine-3-carboxylate, methyl5-methylnicotinate, 5-methylnicotinic acid methyl ester, 5-Methyl-nicotinic acid methyl ester, MLS000737108, 3-PYRIDINECARBOXYLIC ACID, 5-METHYL-, METHYL ESTER, MFCD01075739, 5-METHYLPYRIDINE-3-CARBOXYLIC ACID METHYL ESTER, 5-Methylnicotin Methyl Ester, Methyl 5-methylnicotinate, AldrichCPR, NSC83076, ACMC-1CLEJ, AC1L5UBF, AC1Q5ZCB, methyl 5-methyl nicotinate, NCIOpen2_001245, KSC493C2L, SCHEMBL740311, CHEMBL1508583, CTK3J3125, KS-00000BDV, DTXSID60292469, KQILMMLAGGFMCM-UHFFFAOYSA-N, HMS2884A12, ZINC161631, ACN-S004139, ACT02415, ANW-50366, CE-408, NSC-83076, SBB065251, 3-(Methoxycarbonyl)-5-methylpyridine, AKOS009158511, AC-7174, AN-9253, CS-W019377, FS-3119, MCULE-2969652773, PB14201, RP01697, RTR-012858, TRA0087127, AJ-15779, AK-39649, BP-11355, BR-39649, CJ-01980, SC-20917, SMR000528376, SY004562, AB0024030, DB-013122, TR-012858, 4CH-007491, AM20061790, FT-0628684, M2428, METHYL 5-METHYL-3-PYRIDINECARBOXYLATE, ST24031147, ST50824266, W5214, S-1832, Z-8016, 82888-EP2298758A1, 82888-EP2298759A1, 82888-EP2305664A1, MFCD01075739 (97+%), I02-0288, J-017599, J-522498, Z1305133464, Ethyl 4-bromopicolinate, C8H9NO2, ACN-S005127, AR-1J5577, CID256308, A11427, 3-Pyridinecarboxylic acid, 5-methyl-, methyl ester (9CI), 62150-47-4, 6264-67-1,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.165g/mol
Monoisotopic Mass	151.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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