Beta-hydroxybutyric acid

C₄H₈O₃CAS 300-85-6104.10 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid

Properties

Molecular formula: C₄H₈O₃
Molar mass: 104.10 g/mol
Exact mass: 104.0473 Da
Melting point: 46 °C
Boiling point: 125–130 °C (at 8 Torr)
logP: -0.16Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

300-85-6

SMILES

CC(O)CC(=O)O

InChIKey

WHBMMWSBFZVSSR-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

Butanoic acid, 3-hydroxy-
Butyric acid, 3-hydroxy-
3-Hydroxybutanoic acid
β-Hydroxybutyric acid
β-Hydroxy-n-butyric acid
3-Hydroxybutyric acid
β-Hydroxybutanoic acid
(±)-β-Hydroxybutyric acid
DL-β-Hydroxybutyric acid
DL-3-Hydroxybutyric acid
(±)-3-Hydroxybutyric acid
(±)-3-Hydroxybutanoic acid
(±)-3-Hydroxy-n-butyric acid
NSC 3806

Work with Beta-hydroxybutyric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(+)-Methyl lactate17392-83-5 (-)-Methyl lactate27871-49-4 (S)-2-Hydroxybutyric acid3347-90-8 Erythritan4358-64-9 1,3-Dioxan-5-ol4740-78-7 2,2-Dimethoxyacetaldehyde51673-84-8 Glycol monoacetate542-59-6 1,3-Dioxolane-4-methanol5464-28-8

Elsewhere

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