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3,4-Dihydroxybutanoic Acid

CAT: 1299-RG-A261674-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261674-01Size:10 mg
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CAS Number
1518-61-2
Synonyms
3,4-dihydroxybutanoic acid
Molecular Formula
C4H8O4
Molecular Weight
120.1
Target Alternative Name
Butanoic Acid
Product Name Synonym
3,4-dihydroxybutanoic acid

Chemical Information

3,4-Dihydroxybutanoic acid

3,4-dihydroxybutyric acid is a -hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively. It has a role as a human metabolite. It is an omega-hydroxy-short-chain fatty acid and a 3-hydroxy fatty acid. It is functionally related to a butyric acid.

CAS Number1518-61-2
PubChem CID150929
IUPAC Name3,4-dihydroxybutanoic acid
Molecular FormulaC4H8O4
Molecular Weight120.10
XLogP-1.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity80
SMILES
C(C(CO)O)C(=O)O
InChI
InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)
InChIKey
DZAIOXUZHHTJKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dihydroxybutanoic acid
CAS: 1518-61-2
CID: 150929
Formula: C4H8O4
MW: 120.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.10
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass120.04225873
Monoisotopic Mass120.04225873
Topological Polar Surface Area77.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity80.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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