3,4-Methylenedioxypropiophenone
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
Identifiers
CAS number
28281-49-4SMILES
CCC(=O)c1ccc2c(c1)OCO2InChIKey
RVBJGSPBFIUTTR-UHFFFAOYSA-NInChI
InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3Weigh 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
Propioveratrone1835-04-766 % similar
1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-166 % similar
5-Acetyl-1,3-benzodioxole3162-29-660 % similar
1,3-Benzodioxole-5-carboxylic acid94-53-156 % similar
Propiovanillone1835-14-955 % similar
Kakuol18607-90-454 % similar
1-(3,4-Difluorophenyl)-1-propanone23384-72-751 % similar
1-(3,4-Dichlorophenyl)-1-propanone6582-42-951 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds