chempirical

Methyl propiolate

C4H4O2CAS 922-67-884.07 g/mol

Open in Covalent MOL file
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AlkyneEster

Properties

Molecular formula
C4H4O2
Molar mass
84.07 g/mol
Exact mass
84.0211 Da
Melting point
171–173 °C
Boiling point
102 °C (at 742 Torr)
logP
-0.21Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
922-67-8
SMILES
C#CC(=O)OC
InChIKey
IMAKHNTVDGLIRY-UHFFFAOYSA-N
InChI
InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3

Weigh it out

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

Names and synonyms

12 names
  • 2-Propynoic acid, methyl ester
  • Propiolic acid, methyl ester
  • Methyl acetylenecarboxylate
  • Methyl propynoate
  • Methyl ethynecarboxylate
  • (Methoxycarbonyl)acetylene
  • Methyl 2-propynoate
  • Methyl propargylate
  • (Carbomethoxy)acetylene
  • Methyl acetylenemonocarboxylate
  • Propynoic acid methyl ester
  • NSC 154164

Work with Methyl propiolate

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

Methyl cyanoformate17640-15-250 % similar Ethyl propiolate623-47-250 % similar 3-Butyn-2-one1423-60-538 % similar Methyl 2-octynoate111-12-636 % similar Dimethyl carbonate616-38-636 % similar Methyl 2-nonynoate111-80-835 % similar Dimethyl dicarbonate4525-33-133 % similar Methyl acetate79-20-933 % similar

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

Same formula

1,2-Cyclobutanedione33689-28-0 2-Furanone497-23-4 Tetrolic acid590-93-2 Diketene674-82-8

Elsewhere

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