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2-Hydroxybutyric acid 50mg

CAT: 0628-A19139-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A19139-50Size:50 mg
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CAS Number
600-15-7

Chemical Information

2-Hydroxybutyric Acid

2-hydroxybutyric acid is a hydroxybutyric acid having a single hydroxyl group located at position 2; urinary secretion of 2-hydroxybutyric acid is increased with alcohol ingestion or vigorous physical exercise and is associated with lactic acidosis and ketoacidosis in humans and diabetes in animals. It has a role as a human metabolite and an algal metabolite. It is a hydroxybutyric acid and a 2-hydroxy monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a 2-hydroxybutyrate.

CAS Number600-15-7
PubChem CID11266
IUPAC Name2-hydroxybutanoic acid
Molecular FormulaC4H8O3
Molecular Weight104.10
XLogP0.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity69
SMILES
CCC(C(=O)O)O
InChI
InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKey
AFENDNXGAFYKQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxybutyric Acid
CAS: 600-15-7
CID: 11266
Formula: C4H8O3
MW: 104.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight104.10
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass104.047344113
Monoisotopic Mass104.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity69.3
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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