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
Flash point: 58 °C (closed cup)
Water solubility: miscible
logP: -0.30Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor91.8% of notifiers
H301 Toxic if swallowed100% of notifiers
H310 Fatal in contact with skin91.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, P501

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

Acetylenedicarboxylic acid142-45-050 % similar Tetrolic acid590-93-239 % similar 3-Butyn-2-one1423-60-536 % similar Propynamide7341-96-036 % similar 3-(Trimethylsilyl)propiolic acid5683-31-835 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia