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3-(Cyclopropylmethoxy)-5-methylphenylboronic acid - 96%, high purity , CAS No.1256345-78-4

COA

Grade & Purity:

≥96%

Cas Number: 1256345-78-4
Molecular Weight: 206
PubChem CID: 53216321

In stock

Item Number

C180624

Grouped product items
SKU	Size	Availability	Price	Qty
C180624-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90

Basic Description

Synonyms	1256345-78-4 \| (3-(Cyclopropylmethoxy)-5-methylphenyl)boronic acid \| 3-(CYCLOPROPYLMETHOXY)-5-METHYLPHENYLBORONIC ACID \| [3-(cyclopropylmethoxy)-5-methylphenyl]boronic acid \| (3-(Cyclopropylmethoxy)-5-methylphenyl)boronicacid \| Boronic acid, B-[3-(cyclopropylmethox
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Toluenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
INCHI	InChI=1S/C11H15BO3/c1-8-4-10(12(13)14)6-11(5-8)15-7-9-2-3-9/h4-6,9,13-14H,2-3,7H2,1H3
InChIKey	TXNOKFVUGUTVIN-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)OCC2CC2)C)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)OCC2CC2)C)(O)O
Molecular Weight	206
Reaxy-Rn	56472715
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56472715&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.050 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	206.111 Da
Monoisotopic Mass	206.111 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	206.000
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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