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1-(2-Hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid - 98%, high purity , CAS No.39629-89-5

COA

Grade & Purity:

≥98%

Cas Number: 39629-89-5
Molecular Weight: 221.2
PubChem CID: 2741828

In stock

Item Number

H184275

Grouped product items
SKU	Size	Availability	Price	Qty
H184275-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,299.90

Basic Description

Synonyms	39629-89-5 \| 1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid \| 1-(2-HYDROXYPHENYL)-2-PYRROLDINONE-4-CARBOXYLIC ACID \| MFCD00683917 \| 1-(2-Hydroxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid \| Maybridge3_006875 \| Oprea1_677177 \| Oprea1_831048 \| DTXSID60372432 \| HMS14
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Phenylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Phenylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolidines
Alternative Parents	Pyrrolidine carboxylic acids Oxoprolines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyrrolidine-2-ones Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrroles Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrolidine - Oxoproline - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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	1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
INCHI	InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)
InChIKey	FPQOSKXLHCTVED-UHFFFAOYSA-N
Smiles	C1C(CN(C1=O)C2=CC=CC=C2O)C(=O)O
Isomeric SMILES	C1C(CN(C1=O)C2=CC=CC=C2O)C(=O)O
Molecular Weight	221.2
Reaxy-Rn	225966
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=225966&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	221.210 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	221.069 Da
Monoisotopic Mass	221.069 Da
Topological Polar Surface Area	77.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	304.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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