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2,3-Dihydroxybutanedioic acid

CAT: 0127-OR79847-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR79847-01Size:100 g
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CAS Number
526-83-0
Purity
97%
Smiles
O=C(O)C(O)C(O)C(O)=O

Chemical Information

2,3-Dihydroxybutanedioic Acid

2,3-dihydroxybutanedioic acid is a tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3. It has a role as a plant metabolite and a human xenobiotic metabolite. It is a conjugate acid of a 3-carboxy-2,3-dihydroxypropanoate.

CAS Number526-83-0
PubChem CID875
IUPAC Name2,3-dihydroxybutanedioic acid
Molecular FormulaC4H6O6
Molecular Weight150.09
XLogP-1.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity134
SMILES
C(C(C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
InChIKey
FEWJPZIEWOKRBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydroxybutanedioic Acid
CAS: 526-83-0
CID: 875
Formula: C4H6O6
MW: 150.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.09
XLogP3-1.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass150.01643791
Monoisotopic Mass150.01643791
Topological Polar Surface Area115 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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