3-Butene-1,2-diol

C₄H₈O₂CAS 497-06-388.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈O₂
Molar mass: 88.11 g/mol
Exact mass: 88.0524 Da
Density: 1.047 g/mL (at 20 °C)
Boiling point: 196.5 °C
logP: -0.47Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

497-06-3

SMILES

C=CC(O)CO

InChIKey

ITMIAZBRRZANGB-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2

Weigh it out

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

Names and synonyms

6 names

Erythrol
3,4-Dihydroxy-1-butene
1,2-Dihydroxy-3-butene
1-Butene-3,4-diol
But-3-en-1,2-diol
1-Buten-3,4-diol

Work with 3-Butene-1,2-diol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Penten-3-ol616-25-152 % similar 1,5-Hexadien-3-ol924-41-452 % similar 1-Vinylbutanol4798-44-148 % similar (+)-Glyceraldehyde453-17-848 % similar (-)-Glyceraldehyde497-09-648 % similar Glyceraldehyde56-82-648 % similar (±)-1-Hepten-3-ol4938-52-744 % similar 1-Octen-3-ol3391-86-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 1,4-Dioxane123-91-1 Ethyl acetate141-78-6 1,4-Dioxane-D817647-74-4 2-Methylene-1,3-propanediol3513-81-3

Elsewhere

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