chempirical

Methyl 4-hydroxybut-2-ynoate

C5H6O3CAS 31555-05-2114.10 g/mol

Open in Covalent MOL file
OOOH
AlcoholAlkyneEster

Properties

Molecular formula
C5H6O3
Molar mass
114.10 g/mol
Exact mass
114.0317 Da
logP
-0.84Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
31555-05-2
SMILES
COC(=O)C#CCO
InChIKey
SYPLUFBJMSFMTN-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O3/c1-8-5(7)3-2-4-6/h6H,4H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Methyl 4-hydroxy-2-butynoate
  • Methyl 5-hydroxypent-2-ynoate
  • 2-Butynoic acid, 4-hydroxy-, methyl ester
  • Tetrolic acid, hydroxy-, methyl ester
  • 4-Hydroxy-2-butynoic acid methyl ester
  • 4-Hydroxy-2-pentynoate
  • Methyl4-hydroxybut-2-ynoate
  • Methyl 4-hydroxy-2-butyrate
  • Methyl 4-hydroxy-2-butinoate
  • Methyl gamma-hydroxy-2-butynoate
  • 4-Hydroxy-but-2-ynoic acid methyl ester

Work with Methyl 4-hydroxybut-2-ynoate

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 2-octynoate111-12-652 % similar Methyl 2-nonynoate111-80-850 % similar Methyl cyanoformate17640-15-241 % similar Methyl propiolate922-67-841 % similar Methyl glycolate96-35-537 % similar Ethyl 2-pentynoate55314-57-335 % similar 1,4-Butynediol110-65-633 % similar Diethyl acetylenedicarboxylate762-21-032 % similar

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

Same formula

Glutaric anhydride108-55-4 4-Hydroxy-5-methyl-3(2H)-furanone19322-27-1 5-Hydroxy-4-methyl-2(5H)-furanone40834-42-2 Methylsuccinic anhydride4100-80-5 Vinylethylene carbonate4427-96-7

Elsewhere

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