chempirical

Myristicinaldehyde

C9H8O4CAS 5780-07-4180.16 g/mol

Open in Covalent MOL file
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AcetalAldehydeEther

Properties

Molecular formula
C9H8O4
Molar mass
180.16 g/mol
Exact mass
180.0423 Da
Melting point
131 °C
Boiling point
110–115 °C (at 0.5 Torr)
logP
1.24Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
5780-07-4
SMILES
COc1cc(C=O)cc2c1OCO2
InChIKey
LOFRBHZYZCIOJO-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 5-Methoxypiperonal
  • 5-Formyl-7-methoxy-1,3-benzodioxole
  • 7-Methoxybenzo[d][1,3]dioxole-5-carboxaldehyde
  • 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-
  • Benzaldehyde, 3-methoxy-4,5-(methylenedioxy)-
  • 7-Methoxy-1,3-benzodioxole-5-carboxaldehyde
  • Myristicaldehyde
  • 3-Methoxy-4,5-(methylenedioxy)benzaldehyde
  • 3,4-(Methylenedioxy)-5-methoxybenzaldehyde
  • 5-Methoxy-3,4-(methylenedioxy)benzaldehyde

Work with Myristicinaldehyde

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

3-Iodo-4,5-dimethoxybenzaldehyde32024-15-057 % similar 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-757 % similar 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-454 % similar 4-Acetoxy-3,5-dimethoxybenzaldehyde53669-33-354 % similar Myristicin607-91-054 % similar Piperonal120-57-051 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-850 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-250 % similar

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

Same formula

5-Acetylsalicylic acid13110-96-8 p-Hydroxyphenylpyruvic acid156-39-8 Monomethyl terephthalate1679-64-7 (4-Formylphenoxy)acetic acid22042-71-3 P-Acetoxybenzoic acid2345-34-8 Methyl 3-formyl-4-hydroxybenzoate24589-99-9 Phenylmalonic acid2613-89-0 1,3-Benzodioxole-5-acetic acid2861-28-1

Elsewhere

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