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5-Cyclopropylisoxazole-3-carboxylic acid - ≥95%, high purity , CAS No.110256-15-0

COA

Grade & Purity:

≥95%

Cas Number: 110256-15-0
Molecular Weight: 153.14
MDL number: MFCD05668325
PubChem CID: 1092113

In stock

Item Number

C770058

Grouped product items
SKU	Size	Availability	Price
C770058-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
C770058-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90
C770058-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90

View related series

Aromatic heterocyclic compounds (462) Isooxazole compounds (15)

Basic Description

Specifications & Purity	≥95%
Storage Temp	Protected from light,Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads 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 Azoles
    - Subclass Isoxazoles
      - Level5 Cyclopropylisoxazoles
        Level6 5-cyclopropylisoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Isoxazoles
Intermediate Tree Nodes	Cyclopropylisoxazoles
Direct Parent	5-cyclopropylisoxazoles
Alternative Parents	Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	5-cyclopropylisoxazole - Heteroaromatic compound - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 5-cyclopropylisoxazoles. These are aromatic heterocyclic compounds containing an isoxazole ring substituted at the ring 5-position with a cyclopropyl 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	5-cyclopropyl-1,2-oxazole-3-carboxylic acid
INCHI	InChI=1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKey	OWMVXHFZCCPOTD-UHFFFAOYSA-N
Smiles	C1CC1C2=CC(=NO2)C(=O)O
Isomeric SMILES	C1CC1C2=CC(=NO2)C(=O)O
WGK Germany	3
PubChem CID	1092113
Molecular Weight	153.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	153.140 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	153.043 Da
Monoisotopic Mass	153.043 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	179.000
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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