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Dimethyl 1H-pyrrole-2,4-dicarboxylate - 97%, high purity , CAS No.2818-07-7

COA

Grade & Purity:

≥97%

Cas Number: 2818-07-7
Molecular Weight: 183.16
PubChem CID: 12317089

In stock

Item Number

D192509

Grouped product items
SKU	Size	Availability	Price
D192509-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90
D192509-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$362.90
D192509-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$996.90
D192509-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,434.90
D192509-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,150.90

Discover Dimethyl 1H-pyrrole-2,4-dicarboxylate by Aladdin Scientific in 97% for only $121.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Dimethyl 1H-pyrrole-2,4-dicarboxylate \| 2818-07-7 \| Dimethyl1H-pyrrole-2,4-dicarboxylate \| pyrrole-2,4-dicarboxylic acid dimethyl ester \| SCHEMBL70354 \| DTXSID90487801 \| QQPMGRCCMQUJJA-UHFFFAOYSA-N \| MFCD02179576 \| AKOS015919579 \| CS-W022627 \| SB62064 \| DS-16601 \| A913506
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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 Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen 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	dimethyl 1H-pyrrole-2,4-dicarboxylate
INCHI	InChI=1S/C8H9NO4/c1-12-7(10)5-3-6(9-4-5)8(11)13-2/h3-4,9H,1-2H3
InChIKey	QQPMGRCCMQUJJA-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=CN1)C(=O)OC
Isomeric SMILES	COC(=O)C1=CC(=CN1)C(=O)OC
Molecular Weight	183.16
Reaxy-Rn	163099
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=163099&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	183.160 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	183.053 Da
Monoisotopic Mass	183.053 Da
Topological Polar Surface Area	68.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216.000
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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