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2-Hexynoic Acid - >95.0%(GC), high purity , CAS No.764-33-0

COA

Grade & Purity:

≥95%(GC)

Cas Number: 764-33-0
Molecular Weight: 112.13
PubChem CID: 324380

In stock

Item Number

H157077

Grouped product items
SKU	Size	Availability	Price	Qty
H157077-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
H157077-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90

Discover 2-Hexynoic Acid by Aladdin Scientific in >95.0%(GC) for only $21.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	AKOS006223503 \| FT-0612500 \| 2-Hexynoic acid, 97% \| hex-2-ynoic acid \| BS-22914 \| hexynoic acid \| SCHEMBL1067230 \| MFCD00014371 \| InChI=1/C6H8O2/c1-2-3-4-5-6(7)8/h2-3H2,1H3,(H,7,8) \| NSC 289569 \| H0665 \| D90924 \| 2-HEXYNOIC ACID, 96% \| DIMETHYLCIS-STILBEN
Specifications & Purity	≥95%(GC)
Shipped In	Normal

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	Medium-chain fatty acids
Alternative Parents	Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Medium-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
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	hex-2-ynoic acid
INCHI	InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-3H2,1H3,(H,7,8)
InChIKey	AKYAUBWOTZJUBI-UHFFFAOYSA-N
Smiles	CCCC#CC(=O)O
Isomeric SMILES	CCCC#CC(=O)O
WGK Germany	2
Molecular Weight	112.13
Reaxy-Rn	1744983
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744983&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.4590
Flash Point(°F)	177.8 °F
Flash Point(°C)	81 °C
Boil Point(°C)	120°C/15.8mmHg
Melt Point(°C)	23-26°C
Molecular Weight	112.130 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	112.052 Da
Monoisotopic Mass	112.052 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	135.000
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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