5-Methoxyisatin
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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
39755-95-8SMILES
COc1ccc2c(c1)C(=O)C(=O)N2InChIKey
DMHGXMPXHPOXBF-UHFFFAOYSA-NInChI
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
Similar compounds
6-Methoxy-2,3-dioxyindole52351-75-482 % similar
5-(Trifluoromethoxy)isatin169037-23-463 % similar
5-Methylisatin608-05-959 % similar
5-Chloroisatin17630-76-155 % similar
5-Iodoisatin20780-76-155 % similar
5-Fluoroisatin443-69-655 % similar
5-Bromoisatin87-48-955 % similar
5-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-453 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.