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Methyl 5-(hydroxymethyl)nicotinate - 97%, high purity , CAS No.129747-52-0

COA

Grade & Purity:

≥97%

Cas Number: 129747-52-0
Molecular Weight: 167.16
PubChem CID: 15279859
PubChem SID: 504767807

In stock

Item Number

M190484

Grouped product items
SKU	Size	Availability	Price
M190484-100mg	100mg	3	$53.90
M190484-250mg	250mg	3	$68.90
M190484-1g	1g	2	$198.90
M190484-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$629.90

Basic Description

Synonyms	Methyl 5-(hydroxymethyl)nicotinate \| 129747-52-0 \| Methyl 5-(hydroxymethyl)pyridine-3-carboxylate \| 3-Pyridinecarboxylic acid, 5-(hydroxymethyl)-, methyl ester \| 5-HYDROXYMETHYL-NICOTINIC ACID METHYL ESTER \| MFCD11848097 \| 5-(Hydroxymethyl)-3-pyridinecarboxylic Acid
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Methyl esters Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504767807
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767807
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
InChIKey	UXSXEOUOALNTGR-UHFFFAOYSA-N
Smiles	COC(=O)C1=CN=CC(=C1)CO
Isomeric SMILES	COC(=O)C1=CN=CC(=C1)CO
Molecular Weight	167.16
Reaxy-Rn	7580726
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7580726&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
K2108566	Certificate of Analysis	Aug 20, 2024	M190484
K2108567	Certificate of Analysis	Aug 20, 2024	M190484
K2108568	Certificate of Analysis	Aug 20, 2024	M190484
K2108569	Certificate of Analysis	Aug 20, 2024	M190484

Chemical and Physical Properties

Molecular Weight	167.160 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	167.058 Da
Monoisotopic Mass	167.058 Da
Topological Polar Surface Area	59.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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