chempirical

Propargyl acrylate

C6H6O2CAS 10477-47-1110.11 g/mol

Open in Covalent MOL file
OO
AlkeneAlkyneEster

Properties

Molecular formula
C6H6O2
Molar mass
110.11 g/mol
Exact mass
110.0368 Da
logP
0.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
10477-47-1
SMILES
C#CCOC(=O)C=C
InChIKey
WPBNLDNIZUGLJL-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2/c1-3-5-8-6(7)4-2/h1,4H,2,5H2

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 2-propyn-1-yl ester
  • Acrylic acid, 2-propynyl ester
  • 2-Propenoic acid, 2-propynyl ester
  • 2-Propyn-1-ol, acrylate
  • NSC 245495
  • 2-Propynyl acrylate
  • Prop-2-yn-1-yl acrylate

Work with Propargyl acrylate

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

Polyethylene glycol diacrylate26570-48-956 % similar 1,4-Butylene glycol diacrylate1070-70-852 % similar 1,6-Hexanediol diacrylate13048-33-450 % similar Ethyl acrylate140-88-550 % similar Oxydiethylene diacrylate4074-88-850 % similar Pentaerythritol tetraacrylate4986-89-450 % similar Allyl acrylate999-55-350 % similar 2-Isocyanatoethyl acrylate13641-96-849 % similar

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

Same formula

Resorcinol108-46-3 2-Acetylfuran1192-62-7 Catechol120-80-9 Hydroquinone123-31-9 2,4-Hexadiyne-1,6-diol3031-68-3 5-Methylfurfural620-02-0

Elsewhere

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