chempirical

Allylidene diacetate

C7H10O4CAS 869-29-4158.15 g/mol

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AcetalAlkeneEster

Properties

Molecular formula
C7H10O4
Molar mass
158.15 g/mol
Exact mass
158.0579 Da
Density
1.076 g/mL (at 17 °C)
Melting point
−37.6 °C
Boiling point
180 °C
logP
0.62Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
869-29-4
SMILES
C=CC(OC(C)=O)OC(C)=O
InChIKey
TXECTBGVEUDNSL-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O4/c1-4-7(10-5(2)8)11-6(3)9/h4,7H,1H2,2-3H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 2-Propene-1,1-diol, 1,1-diacetate
  • 2-Propene-1,1-diol, diacetate
  • SD 345
  • Allylidene acetate
  • SD 345 (ester)
  • Acrolein diacetate
  • DAP
  • DAP (pesticide)
  • 3,3-Diacetoxy-1-propene
  • 3,3-Diacetoxypropene
  • 2-Propenal, monohydrate, diacetate
  • NSC 45020
  • NSC 7632
  • 1,1-Diacetoxy-2-propene
  • 1-(Acetyloxy)prop-2-en-1-yl acetate

Work with Allylidene diacetate

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

1-Octen-3-yl acetate2442-10-649 % similar Isopropyl acetate108-21-446 % similar 2,3-Diacetoxybutane1114-92-746 % similar Vinyl acetate108-05-444 % similar Polyvinyl acetate9003-20-744 % similar Ethylene-vinyl acetate24937-78-841 % similar 1-Bromoethyl acetate40258-78-441 % similar Vinyltriacetoxysilane4130-08-941 % similar

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

Same formula

trans-1,2-Cyclopentanedicarboxylic acid1461-97-8 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-0 1,3-Cyclopentanedicarboxylic acid4056-78-4 Methyl 2-acetyl-3-oxobutanoate4619-66-3 Succinylacetone51568-18-4 Ethyl 2,4-dioxovalerate615-79-2 Dimethyl itaconate617-52-7 Dimethyl 1,1-cyclopropanedicarboxylate6914-71-2

Elsewhere

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