AG000TMZ

129747-52-0 | 3-Pyridinecarboxylic acid, 5-(hydroxymethyl)-, methyl ester

AG000TMZ

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CAS Number	129747-52-0
Catalog Number	AG000TMZ(AGN-PC-00OPHO)
Chemical Name	3-Pyridinecarboxylic acid, 5-(hydroxymethyl)-, methyl ester
IUPAC Name	methyl 5-(hydroxymethyl)pyridine-3-carboxylate
InChI	InChI=1S/C8H9NO3/c1-12-8(11)7-2-6(5-10)3-9-4-7/h2-4,10H,5H2,1H3
InChI Key	UXSXEOUOALNTGR-UHFFFAOYSA-N
MDL Number	MFCD11848097
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=C(OC)C1=CN=CC(CO)=C1
Synonyms	Methyl 5-(hydroxymethyl)nicotinate, 129747-52-0, Methyl 5-(hydroxymethyl)pyridine-3-carboxylate, 5-HYDROXYMETHYL-NICOTINIC ACID METHYL ESTER, 3-Pyridinecarboxylic acid, 5-(hydroxymethyl)-, methyl ester, methyl 5-hydroxymethylnicotinate, SCHEMBL2008389, CTK4B6390, DTXSID30570943, UXSXEOUOALNTGR-UHFFFAOYSA-N, ANW-72043, MFCD11848097, ZINC34515887, AKOS016007423, MP-0668, RP23003, SB10953, AJ-89044, AK-57253, CJ-18433, DS-15449, SC-14827, SC-33495, AB0058276, TC-160788, 4CH-006648, FT-0721036, ST24033255, Z4070, J-517614, 5-(Hydroxymethyl)-3-pyridinecarboxylic Acid Methyl Ester, C8H9NO3, Methyl5-(hydroxymethyl)nicotinate, 885520-03-6,

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	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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