chempirical

Allyl formate

C4H6O2CAS 1838-59-186.09 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C4H6O2
Molar mass
86.09 g/mol
Exact mass
86.0368 Da
Boiling point
83.6 °C
logP
0.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1838-59-1
SMILES
C=CCOC=O
InChIKey
ZHHZHHSFKCANOC-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2

Weigh it out

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

Names and synonyms

7 names
  • Formic acid, 2-propen-1-yl ester
  • Formic acid, allyl ester
  • Formic acid, 2-propenyl ester
  • Allyl alcohol, formate
  • NSC 4735
  • 2-Propenyl ester formic acid
  • 3-Formyloxy-propene

Work with Allyl formate

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

Allyl vinyl ether3917-15-552 % similar Allyl methyl ether627-40-745 % similar Allyl ether557-40-445 % similar Glycol diformate629-15-245 % similar Triallyl phosphate1623-19-440 % similar Silicic acid (H4sio4) tetra-2-propen-1-yl ester1067-43-239 % similar Ethyl formate109-94-439 % similar Tetrakis(allyloxy)ethane16646-44-939 % similar

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

Same formula

Crotonic acid107-93-7 Vinyl acetate108-05-4 1,4-Butynediol110-65-6 Diepoxybutane1464-53-5 Cyclopropanecarboxylic acid1759-53-1 3-Oxotetrahydrofuran22929-52-8 3,6-Dioxabicyclo[3.1.0]hexane285-69-8 Rel-(2R,2′R)-2,2′-bioxirane298-18-0

Elsewhere

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