1,3-Dihydroxyacetone

CAT: 0127-OR1009194-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-OR1009194-01Size:10 g

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CAS Number

96-26-4

MDL Number

MFCD00004670

Purity

98%

Smiles

OCC(=O)CO

Storage Conditions

Store at 2-8°C

Chemical Information

Dihydroxyacetone

Dihydroxyacetone is a ketotriose consisting of acetone bearing hydroxy substituents at positions 1 and 3. The simplest member of the class of ketoses and the parent of the class of glycerones. It has a role as a metabolite, an antifungal agent, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a primary alpha-hydroxy ketone and a ketotriose.

CAS Number	96-26-4
PubChem CID	670
IUPAC Name	1,3-dihydroxypropan-2-one
Molecular Formula	C3H6O3
Molecular Weight	90.08
XLogP	-1.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	44

SMILES

C(C(=O)CO)O

InChI

InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

InChIKey

RXKJFZQQPQGTFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96-26-4

CID: 670

Formula: C3H6O3

MW: 90.08

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	90.08
XLogP3	-1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	90.031694049
Monoisotopic Mass	90.031694049
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	44
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
FD07750-01	1,3-Dihydroxyacetone
HY-Y0335R-01	1,3-Dihydroxyacetone (Standard)
411089-01	1,3-Dihydroxyacetone Dimer
sc-486364	1,3-Dihydroxyacetone Oxime
D28030	1,3-Dihydroxyacetone 98%
MBS5771896	Dihydroxyacetone phosphate
12438-62	Dihydroxyacetone (dimer)

1,3-Dihydroxyacetone

Chemical Information

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