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5-(Hydroxymethyl)-3-(o-tolyl)isoxazole - ≥95%, high purity , CAS No.885273-56-3

COA

Grade & Purity:

≥95%

Cas Number: 885273-56-3
Molecular Weight: 189.21
PubChem CID: 64146231

In stock

Item Number

I734540

Grouped product items
SKU	Size	Availability	Price	Qty
I734540-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$177.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Toluene - Azole - Isoxazole - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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	[3-(2-methylphenyl)-1,2-oxazol-5-yl]methanol
INCHI	InChI=1S/C11H11NO2/c1-8-4-2-3-5-10(8)11-6-9(7-13)14-12-11/h2-6,13H,7H2,1H3
InChIKey	BQNUCDAEKSZWEE-UHFFFAOYSA-N
Smiles	CC1=CC=CC=C1C2=NOC(=C2)CO
Isomeric SMILES	CC1=CC=CC=C1C2=NOC(=C2)CO
PubChem CID	64146231
Molecular Weight	189.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	189.210 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	189.079 Da
Monoisotopic Mass	189.079 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186.000
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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