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Methyl4-phenyl-1h-pyrrole-3-carboxylate - ≥98%, high purity , CAS No.40167-34-8

COA

Grade & Purity:

≥98%

Cas Number: 40167-34-8
Molecular Weight: 201.23
PubChem CID: 5142464

In stock

Item Number

M709472

Grouped product items
SKU	Size	Availability	Price	Qty
M709472-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$471.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrroles
Alternative Parents	Pyrrole carboxylic acids and derivatives Benzene and substituted derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-phenylpyrrole - Pyrrole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
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	methyl 4-phenyl-1H-pyrrole-3-carboxylate
INCHI	InChI=1S/C12H11NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKey	IQUXHEPTOZFPQJ-UHFFFAOYSA-N
Smiles	COC(=O)C1=CNC=C1C2=CC=CC=C2
Isomeric SMILES	COC(=O)C1=CNC=C1C2=CC=CC=C2
PubChem CID	5142464
Molecular Weight	201.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	201.220 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	201.079 Da
Monoisotopic Mass	201.079 Da
Topological Polar Surface Area	42.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	224.000
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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