chempirical

3,4-(Methylenedioxy)benzohydrazide

C8H8N2O3CAS 22026-39-7180.16 g/mol

Open in Covalent MOL file
H2NNHOOO
AcetalEtherHydrazonePrimary amine

Properties

Molecular formula
C8H8N2O3
Molar mass
180.16 g/mol
Exact mass
180.0535 Da
Melting point
175–176 °C
logP
0.59Crippen estimate
Polar surface area
77.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
22026-39-7
SMILES
NN=C(O)c1ccc2c(c1)OCO2
InChIKey
RAXBGBHBUFGWPG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O3/c9-10-8(11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4,9H2,(H,10,11)

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

Names and synonyms

9 names
  • 1,3-Benzodioxole-5-carboxylic acid, hydrazide
  • Piperonylic acid, hydrazide
  • 3,4-Methylenedioxybenzhydrazide
  • 2H-Benzo[d]-1,3-dioxolane-5-carbohydrazide
  • 1,3-Benzodioxole-5-carbohydrazide
  • 5-(Hydrazinocarbonyl)benzo[d][1,3]dioxole
  • Benzo[d][1,3]dioxole-5-carbohydrazide
  • 1,3-Dioxaindane-5-carbohydrazide
  • 2H-1,3-Benzodioxole-5-carbohydrazide

Work with 3,4-(Methylenedioxy)benzohydrazide

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

3,4-Diethoxybenzohydrazide380482-31-575 % similar Veratric acid hydrazide41764-74-362 % similar Isophthalic dihydrazide2760-98-753 % similar 3,4-Dihydroxybenzoic acid hydrazide39635-11-551 % similar 2-Naphthoic acid hydrazide39627-84-450 % similar 3,4,5-Trimethoxybenzohydrazide3291-03-048 % similar 3-Amino-4-hydroxybenzoic acid hydrazide7450-57-948 % similar 4-Hydroxy-3,5-dimethoxybenzoic acid hydrazide1443-76-146 % similar

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

Same formula

2-[(4-Aminophenyl)amino]-2-oxoacetic acid103-92-4 Nitroacetanilide104-04-1 N-(3-Nitrophenyl)acetamide122-28-1 4-Methyl-3-nitrobenzamide19013-11-7 N-(2-Nitrophenyl)acetamide552-32-9 Nicotinuric acid583-08-4

Elsewhere

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