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3-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)propanoic acid - ≥98%, high purity , CAS No.1191063-90-7

COA

Grade & Purity:

≥98%

Cas Number: 1191063-90-7
Molecular Weight: 200.04
PubChem CID: 46867582

In stock

Item Number

P732883

Grouped product items
SKU	Size	Availability	Price
P732883-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$113.90
P732883-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$192.90
P732883-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$520.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Boronic acid derivatives
Subclass	Boronic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Boronic acid esters
Alternative Parents	Dioxaborolanes Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Boronic acid ester - 1,3,2-dioxaborolane - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Alkylborane - Monoalkylborane - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid
INCHI	InChI=1S/C9H17BO4/c1-8(2)9(3,4)14-10(13-8)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)
InChIKey	KOEHRDXIOARYAC-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)CCC(=O)O
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)CCC(=O)O
PubChem CID	46867582
Molecular Weight	200.04

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	200.040 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	200.122 Da
Monoisotopic Mass	200.122 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	221.000
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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