chempirical

5-Methoxyisatin

C9H7NO3CAS 39755-95-8177.16 g/mol

Open in Covalent MOL file
OOONH
AmideEtherKetoneLactam

Properties

Molecular formula
C9H7NO3
Molar mass
177.16 g/mol
Exact mass
177.0426 Da
Melting point
201–202 °C
logP
0.83Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
39755-95-8
SMILES
COc1ccc2c(c1)C(=O)C(=O)N2
InChIKey
DMHGXMPXHPOXBF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-2,3-dione, 5-methoxy-
  • Indole-2,3-dione, 5-methoxy-
  • Isatin, 5-methoxy-
  • 5-Methoxy-1H-indole-2,3-dione
  • 5-Methoxyindole-2,3-dione
  • NSC 88052
  • 5-Methoxyindoline-2,3-dione

Work with 5-Methoxyisatin

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-Methylisatin608-05-959 % similar 5-Chloroisatin17630-76-155 % similar 5-Iodoisatin20780-76-155 % similar 5-Bromoisatin87-48-955 % similar Isatin91-56-551 % similar 5-Nitroisatin611-09-649 % similar 4-Methoxyphthalic acid1885-13-845 % similar 4,4′-Dimethoxybenzil1226-42-244 % 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

PubChem CAS Common Chemistry NIST WebBook