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Ethyl 3-(hydroxymethyl)-1H-pyrrole-2-carboxylate - ≥97%, high purity , CAS No.75448-69-0

COA

Grade & Purity:

≥97%

Cas Number: 75448-69-0
Molecular Weight: 169.18
PubChem CID: 71748348

In stock

Item Number

E735035

Grouped product items
SKU	Size	Availability	Price	Qty
E735035-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90
E735035-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Pyrrole carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrole carboxylic acids and derivatives
Alternative Parents	Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alcohol - Aromatic alcohol - Hydrocarbon derivative - 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 pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
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

IUPAC Name	ethyl 3-(hydroxymethyl)-1H-pyrrole-2-carboxylate
INCHI	InChI=1S/C8H11NO3/c1-2-12-8(11)7-6(5-10)3-4-9-7/h3-4,9-10H,2,5H2,1H3
InChIKey	WCYXMMUKYMVJKG-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(C=CN1)CO
Isomeric SMILES	CCOC(=O)C1=C(C=CN1)CO
PubChem CID	71748348
Molecular Weight	169.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	169.180 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	169.074 Da
Monoisotopic Mass	169.074 Da
Topological Polar Surface Area	62.300 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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