chempirical

Tetrolic acid

C4H4O2CAS 590-93-284.07 g/mol

Open in Covalent MOL file
OOH
AlkyneCarboxylic acid

Properties

Molecular formula
C4H4O2
Molar mass
84.07 g/mol
Exact mass
84.0211 Da
Melting point
78 °C
Boiling point
203 °C
logP
0.09Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
590-93-2
SMILES
CC#CC(=O)O
InChIKey
LUEHNHVFDCZTGL-UHFFFAOYSA-N
InChI
InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)

Weigh it out

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Names and synonyms

7 names
  • 2-Butynoic acid
  • 3-Methylpropiolic acid
  • 1-Propynecarboxylic acid
  • Methylpropynoic acid
  • Methylacetylenecarboxylic acid
  • NSC 174116
  • Methylpropiolic acid

Reactions

Work with Tetrolic 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

2-Hexynoic acid764-33-044 % similar 2-Octynoic acid5663-96-740 % similar Monopotassium acetylenedicarboxylate928-04-139 % similar Propiolic acid471-25-039 % similar Ethyl 2-butynoate4341-76-834 % similar

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

Same formula

1,2-Cyclobutanedione33689-28-0 2-Furanone497-23-4 Diketene674-82-8 Methyl propiolate922-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia