3,4-Methylenedioxypropiophenone

C10H10O3CAS 28281-49-4178.19 g/mol

Open in Covalent MOL file
OOO
AcetalEtherKetone

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Melting point
123 °C
Boiling point
128 °C
logP
2.01Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number
28281-49-4
SMILES
CCC(=O)c1ccc2c(c1)OCO2
InChIKey
RVBJGSPBFIUTTR-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Propanone, 1-(1,3-benzodioxol-5-yl)-
  • Propiophenone, 3′,4′-(methylenedioxy)-
  • 1-(1,3-Benzodioxol-5-yl)-1-propanone
  • 3′,4′-(Methylenedioxy)propiophenone
  • 3,4-Methylenedioxyphenyl ethyl ketone
  • 5-Propanoyl-1,3-benzodioxole
  • NSC 29484
  • 1-(Benz[d][1,3]dioxol-5-yl)propan-1-one
  • 1-(Benzo[d][1,3]dioxol-5-yl)propan-1-one
  • 1-(2H-1,3-Benzodioxol-5-yl)propan-1-one

Work with 3,4-Methylenedioxypropiophenone

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-(Benzo[D][1,3]dioxol-5-yl)pentan-1-one63740-98-768 % similar Propioveratrone1835-04-766 % similar 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-166 % similar Ethyl 3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoate81581-27-363 % similar 5-Acetyl-1,3-benzodioxole3162-29-660 % similar Piperonyloyl chloride25054-53-956 % similar 1,3-Benzodioxole-5-carboxylic acid94-53-156 % similar Propiovanillone1835-14-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Methoxycinnamic acid17570-26-2 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8

Elsewhere

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