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2，5-Dihydro-4-hydroxy-2-oxo-1H-pyrrole-1-carboxylic acid 1，1-dimethylethyl ester - ≥95%, high purity , CAS No.182352-48-3

COA

Grade & Purity:

≥95%

Cas Number: 182352-48-3
Molecular Weight: 199.206
PubChem CID: 54682595

In stock

Item Number

D733847

Grouped product items
SKU	Size	Availability	Price	Qty
D733847-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$428.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolines
    - Subclass Pyrroline carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolines
Subclass	Pyrroline carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrroline carboxylic acids
Alternative Parents	Vinylogous acids Dicarboximides Carbamate esters Enols Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrroline carboxylic acid - Dicarboximide - Carbamic acid ester - Vinylogous acid - Azacycle - Alkanolamine - Enol - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrroline carboxylic acids. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups.
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	tert-butyl 3-hydroxy-5-oxo-2H-pyrrole-1-carboxylate
INCHI	InChI=1S/C9H13NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h4,11H,5H2,1-3H3
InChIKey	FUOLLMGMLYOWGP-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(=CC1=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(=CC1=O)O
PubChem CID	54682595
Molecular Weight	199.206

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.200 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	199.084 Da
Monoisotopic Mass	199.084 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	300.000
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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