Reuterin

C₃H₆O₂CAS 2134-29-474.08 g/mol

Open in Covalent MOL file

Alcohol Aldehyde

Properties

Molecular formula: C₃H₆O₂
Molar mass: 74.08 g/mol
Exact mass: 74.0368 Da
Boiling point: 90 °C (at 18 Torr)
logP: -0.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

2134-29-4

SMILES

O=CCCO

InChIKey

AKXKFZDCRYJKTF-UHFFFAOYSA-N

InChI

InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2

Weigh it out

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

Names and synonyms

8 names

Propanal, 3-hydroxy-
Hydracrylaldehyde
3-Hydroxypropanal
Hydracrolein
3-Hydroxypropionaldehyde
β-Hydroxypropanal
β-Hydroxypropionaldehyde
3-Oxo-1-propanol

Work with Reuterin

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

Similar compounds

5-Hydroxypentanal4221-03-863 % similar Succinaldehyde638-37-953 % similar Hexanedial1072-21-547 % similar Glutaraldehyde111-30-847 % similar Butyraldehyde123-72-840 % similar 3-Buten-1-ol627-27-040 % similar 4-Pentenal2100-17-638 % similar Pentanal110-62-336 % similar

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

Same formula

Ethyl formate109-94-4 Hydroxyacetone116-09-6 Glycidol556-52-5 (+)-Glycidol57044-25-4 (-)-Glycidol60456-23-7 Dioxolane646-06-0 Oxetan-3-ol7748-36-9 Propionic acid79-09-4

Elsewhere

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