6-Methoxy-2,3-dioxyindole

C9H7NO3CAS 52351-75-4177.16 g/mol

Open in Covalent MOL file
OOONH
AmideEtherKetoneLactam

Properties

Molecular formula
C9H7NO3
Molar mass
177.16 g/mol
Exact mass
177.0426 Da
logP
0.83Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
52351-75-4
SMILES
COC1=CC2=C(C=C1)C(=O)C(=O)N2
InChIKey
MOJHIZLOKWRPIS-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)

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Names and synonyms

1 names
  • 6-Methoxyisatin

Work with 6-Methoxy-2,3-dioxyindole

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

5-Methoxyisatin39755-95-882 % similar 6-Bromoisatin6326-79-055 % similar 6-Chloroisatin6341-92-055 % similar 6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-153 % similar Isatin91-56-551 % similar 5-Methylisatin608-05-951 % similar 5-(Trifluoromethoxy)isatin169037-23-451 % similar 6-Methoxyoxindole7699-19-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dihydro-1,4-benzodioxin-6-yl isocyanate100275-94-3 5-Carboxyoxindole102359-00-2 N-Methylisatoic anhydride10328-92-4 5-Nitro-2-indanone116530-60-0 N-(Hydroxymethyl)phthalimide118-29-6 2-Nitrocinnamaldehyde1466-88-2 4-Nitrocinnamaldehyde1734-79-8 5-Hydroxyindole-2-carboxylic acid21598-06-1

Elsewhere

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