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1,4-Dihydroxy-2-butanone - ≥95%, high purity , CAS No.140-86-3

COA

Grade & Purity:

≥95%

Cas Number: 140-86-3
Molecular Weight: 104.1
MDL number: MFCD11044032
PubChem CID: 11963037

In stock

Item Number

D767423

Grouped product items
SKU	Size	Availability	Price	Qty
D767423-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$529.90
D767423-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,199.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Monosaccharides
Alternative Parents	Beta-hydroxy ketones Alpha-hydroxy ketones Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Monosaccharide - Beta-hydroxy ketone - Alpha-hydroxy ketone - Ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
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	1,4-dihydroxybutan-2-one
INCHI	InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2
InChIKey	XBJODPUPYBBDEM-UHFFFAOYSA-N
Smiles	C(CO)C(=O)CO
Isomeric SMILES	C(CO)C(=O)CO
PubChem CID	11963037
Molecular Weight	104.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	104.100 g/mol
XLogP3	-1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	104.047 Da
Monoisotopic Mass	104.047 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	60.000
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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