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3-(Nitromethylene)oxetane - ≥95%, high purity , CAS No.922500-95-6

COA

Grade & Purity:

≥95%

Cas Number: 922500-95-6
Molecular Weight: 115.09
PubChem CID: 53346596

In stock

Item Number

O733343

Grouped product items
SKU	Size	Availability	Price	Qty
O733343-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$585.90

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	C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	C-nitro compound - Oxetane - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic cation - Aliphatic heteromonocyclic 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	3-(nitromethylidene)oxetane
INCHI	InChI=1S/C4H5NO3/c6-5(7)1-4-2-8-3-4/h1H,2-3H2
InChIKey	YYPAYWPSPJDUBG-UHFFFAOYSA-N
Smiles	C1C(=C[N+](=O)[O-])CO1
Isomeric SMILES	C1C(=C[N+](=O)[O-])CO1
PubChem CID	53346596
Molecular Weight	115.09

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	-0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	115.027 Da
Monoisotopic Mass	115.027 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	129.000
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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