Propiolic acid

C₃H₂O₂CAS 471-25-070.05 g/mol

Open in Covalent MOL file

Alkyne Carboxylic acid

Properties

Molecular formula: C₃H₂O₂
Molar mass: 70.05 g/mol
Exact mass: 70.0055 Da
Density: 1.1435 g/mL (at 15 °C)
Melting point: 9 °C
Boiling point: 57 °C
logP: -0.30Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

471-25-0

SMILES

C#CC(=O)O

InChIKey

UORVCLMRJXCDCP-UHFFFAOYSA-N

InChI

InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)

Weigh it out

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

Names and synonyms

8 names

2-Propynoic acid
Acetylenecarboxylic acid
Propargylic acid
Propynoic acid
Carboxyacetylene
Acetylenemonocarboxylic acid
2-Propyne-1-carboxylic acid
NSC 16152

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

Similar compounds

3-Butyn-2-one1423-60-536 % similar 2-Hexynoic acid764-33-032 % similar Monopotassium acetylenedicarboxylate928-04-132 % similar Methyl propiolate922-67-832 % similar

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

Elsewhere

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