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4-((tert-Butyldimethylsilyl)oxy)but-2-ynoic acid - ≥98%, high purity , CAS No.102245-65-8

COA

Grade & Purity:

≥98%

Cas Number: 102245-65-8
Molecular Weight: 214.33
PubChem CID: 22478445

In stock

Item Number

O730743

Grouped product items
SKU	Size	Availability	Price	Qty
O730743-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Unsaturated fatty acids
Alternative Parents	Trialkylheterosilanes Silyl ethers Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Unsaturated fatty acid - Trialkylheterosilane - Silyl ether - Carboxylic acid derivative - Organoheterosilane - Carboxylic acid - Monocarboxylic acid or derivatives - Organic metalloid salt - Carbonyl group - Organosilicon compound - Organooxygen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as unsaturated fatty acids. These are fatty acids with a chain that contains at least one CC double bond.
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	4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoic acid
INCHI	InChI=1S/C10H18O3Si/c1-10(2,3)14(4,5)13-8-6-7-9(11)12/h8H2,1-5H3,(H,11,12)
InChIKey	DNEAINNTXMYDFB-UHFFFAOYSA-N
Smiles	CC(C)(C)[Si](C)(C)OCC#CC(=O)O
Isomeric SMILES	CC(C)(C)[Si](C)(C)OCC#CC(=O)O
PubChem CID	22478445
Molecular Weight	214.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	214.330 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	214.103 Da
Monoisotopic Mass	214.103 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	275.000
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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