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(E)-3，3-dimethylbut-1-enylboronic acid - ≥95%, high purity , CAS No.86595-37-1

COA

Grade & Purity:

≥95%

Cas Number: 86595-37-1
Molecular Weight: 127.98
PubChem CID: 5706775

In stock

Item Number

D709784

Grouped product items
SKU	Size	Availability	Price
D709784-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$398.90
D709784-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$797.90
D709784-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,733.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Boronic acid derivatives
    - Subclass Boronic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Boronic acid derivatives
Subclass	Boronic acids
Intermediate Tree Nodes	Not available
Direct Parent	Boronic acids
Alternative Parents	Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Boronic acid - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl, aryl).
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	[(E)-3,3-dimethylbut-1-enyl]boronic acid
INCHI	InChI=1S/C6H13BO2/c1-6(2,3)4-5-7(8)9/h4-5,8-9H,1-3H3/b5-4+
InChIKey	CTIWKIMYFQSVBZ-SNAWJCMRSA-N
Smiles	B(C=CC(C)(C)C)(O)O
Isomeric SMILES	B(/C=C/C(C)(C)C)(O)O
PubChem CID	5706775
Molecular Weight	127.98

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	127.980 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	128.101 Da
Monoisotopic Mass	128.101 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	102.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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