chempirical

Helional

C11H12O3CAS 1205-17-0192.21 g/mol

Open in Covalent MOL file
OOO
AcetalAldehydeEther

Properties

Molecular formula
C11H12O3
Molar mass
192.21 g/mol
Exact mass
192.0786 Da
Density
1.1637 g/mL (at 20 °C)
Boiling point
128 °C (at 3 Torr)
logP
1.79Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
1205-17-0
SMILES
CC(C=O)Cc1ccc2c(c1)OCO2
InChIKey
BOPPSUHPZARXTH-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,3-Benzodioxole-5-propanal, α-methyl-
  • Hydrocinnamaldehyde, α-methyl-3,4-(methylenedioxy)-
  • α-Methyl-1,3-benzodioxole-5-propanal
  • 3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
  • 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde
  • Tropional
  • NSC 22282
  • 2-Methyl-3-(3,4-methylenedioxyphenyl)propanal
  • Helipropanal
  • α-Methyl-3,4-(methylenedioxy)hydrocinnamaldehyde
  • Heliogan
  • Heliobouquet
  • Heliofresh
  • 3-(Benzo[d][1,3]dioxol-5-yl)-2-methylpropanal
  • 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal

Work with Helional

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

MDMA42542-10-954 % similar Cyclamen aldehyde103-95-751 % similar Lilial80-54-649 % similar Macelignan107534-93-047 % similar Piperonyl isobutyrate5461-08-547 % similar 3,4-Methylenedioxyphenylpropan-2-one4676-39-545 % similar Sulfoxide120-62-745 % similar Safrole94-59-745 % similar

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

Same formula

Dehydrozingerone1080-12-2 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9 4-(4-Methylphenyl)-4-oxobutanoic acid4619-20-9 Phenoxyethyl acrylate48145-04-6

Elsewhere

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