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3,5-Diformyl-2-isopropoxyphenylboronic acid , CAS No.1072951-68-8

COA

Cas Number: 1072951-68-8
Molecular Weight: 236.03
PubChem CID: 16218357

In stock

Item Number

D165752

Grouped product items
SKU	Size	Availability	Price	Qty
D165752-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$182.90

Basic Description

Synonyms	1072951-68-8 \| (3,5-Diformyl-2-isopropoxyphenyl)boronic acid \| 3,5-Diformyl-2-isopropoxyphenylboronic acid \| (3,5-diformyl-2-propan-2-yloxyphenyl)boronic acid \| (3,5-Diformyl-2-isopropoxyphenyl)boronicacid \| DTXSID10584902 \| XSB95168 \| MFCD09750451 \| AKOS015837368 \| BS-224
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 Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Aldehyde - Organoboron compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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	(3,5-diformyl-2-propan-2-yloxyphenyl)boronic acid
INCHI	InChI=1S/C11H13BO5/c1-7(2)17-11-9(6-14)3-8(5-13)4-10(11)12(15)16/h3-7,15-16H,1-2H3
InChIKey	MZTOPIAFLPHQPO-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1OC(C)C)C=O)C=O)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1OC(C)C)C=O)C=O)(O)O
WGK Germany	3
Molecular Weight	236.03
Reaxy-Rn	49574850
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49574850&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	236.030 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	236.086 Da
Monoisotopic Mass	236.086 Da
Topological Polar Surface Area	83.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	269.000
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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