AG0037KX

58481-17-7 | Methyl 2-(hydroxymethyl)isonicotinate

AG0037KX

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CAS Number	58481-17-7
Catalog Number	AG0037KX(AGN-PC-00LT8U)
Chemical Name	Methyl 2-(hydroxymethyl)isonicotinate
IUPAC Name	methyl 2-(hydroxymethyl)pyridine-4-carboxylate
InChI	InChI=1S/C8H9NO3/c1-12-8(11)6-2-3-9-7(4-6)5-10/h2-4,10H,5H2,1H3
InChI Key	PBBNEARCAGHGCQ-UHFFFAOYSA-N
MDL Number	MFCD11848098
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	OCC=1C=C(C(=O)OC)C=CN1
Synonyms	Methyl 2-(hydroxymethyl)isonicotinate, 58481-17-7, Methyl 2-(hydroxymethyl)pyridine-4-carboxylate, 2-HYDROXYMETHYL-ISONICOTINIC ACID METHYL ESTER, 4-Pyridinecarboxylic acid, 2-(hydroxymethyl)-, methyl ester, SCHEMBL348975, CTK5A8379, DTXSID10534023, PBBNEARCAGHGCQ-UHFFFAOYSA-N, BCP15559, ANW-57110, MFCD11848098, ZINC39471179, AKOS016002549, CS-W006249, DS-2218, KS-00000N35, AK-76202, SC-14828, AJ-100336, ST2419490, TC-145855, 4CH-002601, FT-0698636, L-2085, Methyl 2-(hydroxymethyl)-4-pyridinecarboxylate, Methyl 2-(hydroxymethyl)isonicotite, 2-Hydroxymethyl-isonicotinicacidmethylester,

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	-0.1

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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