AG002Z3E

29681-46-7 | 3-Pyridinecarboxylic acid, 5-methoxy-, methyl ester

AG002Z3E

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CAS Number	29681-46-7
Catalog Number	AG002Z3E(AGN-PC-00UQZP)
Chemical Name	3-Pyridinecarboxylic acid, 5-methoxy-, methyl ester
IUPAC Name	methyl 5-methoxypyridine-3-carboxylate
InChI	InChI=1S/C8H9NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h3-5H,1-2H3
InChI Key	JIRJAOSTLIQOCY-UHFFFAOYSA-N
MDL Number	MFCD09265109
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	COC(=O)C1=CN=CC(OC)=C1
Synonyms	Methyl 5-methoxynicotinate, 29681-46-7, Methyl 5-methoxypyridine-3-carboxylate, Methyl5-Methoxy-3-Pyridinecarboxylate, 3-Pyridinecarboxylic acid, 5-methoxy-, methyl ester, ACMC-20admh, SCHEMBL1439962, DTXSID80584878, JIRJAOSTLIQOCY-UHFFFAOYSA-N, AC1Q4344, ANW-68583, MFCD09265109, ZINC14400984, AKOS015851681, Methyl 5-methoxypyridine 3-carboxylate, PB10663, AJ-64783, AS-32699, SC-45711, AB0042610, TR-057441, 4CH-021783, CS-0046214, FT-0652561, ST24048009, Z0489, METHYL 3-METHOXY-5-PYRIDINECARBOXYLATE, Methyl 5-methoxypyridine-3-carboxylate, 90%, A-6423, I02-1918, J-017600, METHYL 5-METHOXY-3-PYRIDINECARBOXYLATE, 90%, Methyl 5-methoxynicotite, C8H9NO3, Methyl 5-methoxy-3-pyridinecarboxylate, A5512,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H318-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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