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2-Oxaspiro[3.3]heptane-6-carboxylic acid - ≥95%, high purity , CAS No.889944-54-1

COA

Grade & Purity:

≥95%

Cas Number: 889944-54-1
Molecular Weight: 142.15
PubChem CID: 28952043

In stock

Item Number

O731683

Grouped product items
SKU	Size	Availability	Price	Qty
O731683-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,511.90
O731683-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,518.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxetanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxetanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxetanes
Alternative Parents	Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Oxetane - 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 heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three 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	2-oxaspiro[3.3]heptane-6-carboxylic acid
INCHI	InChI=1S/C7H10O3/c8-6(9)5-1-7(2-5)3-10-4-7/h5H,1-4H2,(H,8,9)
InChIKey	ZWRRDOVWTVEVRS-UHFFFAOYSA-N
Smiles	C1C(CC12COC2)C(=O)O
Isomeric SMILES	C1C(CC12COC2)C(=O)O
PubChem CID	28952043
Molecular Weight	142.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	142.150 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	142.063 Da
Monoisotopic Mass	142.063 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164.000
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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