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(R)-4-Phenyl-3-propionyl-2-oxazolidinone - ≥98%, high purity , CAS No.160695-26-1

COA

Grade & Purity:

≥98%

Cas Number: 160695-26-1
Molecular Weight: 2219.2
PubChem CID: 11287438

In stock

Item Number

P725804

Grouped product items
SKU	Size	Availability	Price	Qty
P725804-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90
P725804-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$448.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolidines
    - Subclass Oxazolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolidines
Subclass	Oxazolidines
Intermediate Tree Nodes	Not available
Direct Parent	Oxazolidinones
Alternative Parents	Benzene and substituted derivatives Dicarboximides Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Dicarboximide - Carbamic acid ester - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group.
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	(4R)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one
INCHI	InChI=1S/C12H13NO3/c1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m0/s1
InChIKey	TYZVFKRBBHHHSX-JTQLQIEISA-N
Smiles	CCC(=O)N1C(COC1=O)C2=CC=CC=C2
Isomeric SMILES	CCC(=O)N1[C@@H](COC1=O)C2=CC=CC=C2
PubChem CID	11287438
Molecular Weight	2219.2

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	84°C
Molecular Weight	219.240 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	219.09 Da
Monoisotopic Mass	219.09 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	284.000
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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