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Oxepane-4-carboxylic acid - 98%, high purity , CAS No.933747-23-0

COA

Grade & Purity:

≥98%

Cas Number: 933747-23-0
Molecular Weight: 144.17
PubChem CID: 65081580

In stock

Item Number

O590766

Grouped product items
SKU	Size	Availability	Price	Qty
O590766-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90

Basic Description

Synonyms	oxepane-4-carboxylicacid \| Z1258684735 \| AKOS014414431 \| CS-0136868 \| E84816 \| BS-52505 \| EN300-188092 \| SCHEMBL22325773 \| oxepane-4-carboxylic acid
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxepanes
Alternative Parents	Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxepane - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six 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	oxepane-4-carboxylic acid
INCHI	InChI=1S/C7H12O3/c8-7(9)6-2-1-4-10-5-3-6/h6H,1-5H2,(H,8,9)
InChIKey	LUTVJDHKNWWRKO-UHFFFAOYSA-N
Smiles	C1CC(CCOC1)C(=O)O
Isomeric SMILES	C1CC(CCOC1)C(=O)O
Molecular Weight	144.17
Reaxy-Rn	42391173
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42391173&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	144.170 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	144.079 Da
Monoisotopic Mass	144.079 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122.000
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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