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(2S)-4-oxoazetidine-2-carboxylic acid - 97%, high purity , CAS No.16404-94-7

COA

Grade & Purity:

≥97%

Cas Number: 16404-94-7
Molecular Weight: 115.09
EC Number: 803-064-5
MDL number: MFCD00799571
PubChem CID: 13469007

In stock

Item Number

O635677

Grouped product items
SKU	Size	Availability	Price
O635677-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
O635677-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$133.90
O635677-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$323.90
O635677-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,611.90

Basic Description

Synonyms	AS-80485 \| (S)-4-(-)-oxo-2-azetidinonecarboxilyc acid \| (S)-(-)-4-Oxo-2-azetidinecarboxylic acid \| (s)-4-oxo azetidine-2-carboxylic acid \| AKOS006237204 \| Pyroaspartic acid, L- \| MFCD00799571 \| 2-Azetidinecarboxylic acid, 4-oxo-, (2S)- \| TS-01589 \| CS-W01
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactams
    - Subclass Beta lactams

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactams
Subclass	Beta lactams
Intermediate Tree Nodes	Not available
Direct Parent	Monobactams
Alternative Parents	Alpha amino acids and derivatives Azetidinecarboxylic acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Monobactam - Alpha-amino acid or derivatives - Azetidinecarboxylic acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.
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	(2S)-4-oxoazetidine-2-carboxylic acid
INCHI	InChI=1S/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKey	YSPMLLKKKHCTBN-REOHCLBHSA-N
Smiles	C1C(NC1=O)C(=O)O
Isomeric SMILES	C1[C@H](NC1=O)C(=O)O
WGK Germany	3
Alternate CAS	16404-94-7
Molecular Weight	115.09
Reaxy-Rn	2819
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2819&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	115.090 g/mol
XLogP3	-1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	115.027 Da
Monoisotopic Mass	115.027 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	142.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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