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3-(Hydroxymethyl)-5-methylphenylboronic Acid - ≥95%, high purity , CAS No.1451391-46-0

COA

Grade & Purity:

≥95%

Cas Number: 1451391-46-0
Molecular Weight: 165.98
PubChem CID: 57497250

In stock

Item Number

M734213

Grouped product items
SKU	Size	Availability	Price	Qty
M734213-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90
M734213-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl alcohols
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl alcohols
Alternative Parents	Toluenes Boronic acids Organic metalloid salts Primary alcohols Organometalloid compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl alcohol - Toluene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organic metalloid moeity - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
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-(hydroxymethyl)-5-methylphenyl]boronic acid
INCHI	InChI=1S/C8H11BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10-12H,5H2,1H3
InChIKey	XAHBYOREXCQDRQ-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)CO)C)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)CO)C)(O)O
PubChem CID	57497250
Molecular Weight	165.98

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	165.980 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.08 Da
Monoisotopic Mass	166.08 Da
Topological Polar Surface Area	60.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140.000
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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