Basic information
- CAS
13208-96-3- Standard SMILES
Cc1cccc2c(N=O)c(O)[nH]c12- InChIKey
ABYOCIIPFCSZNI-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime
- IUPAC
- 7-methyl-3-nitroso-1H-indol-2-ol
- English name
- (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
13208-96-3(3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime(Z)-3-(Hydroxyimino)-7-methylindolin-2-one3-(hydroxyimino)-7-methyl-2,3-dihydro-1H-indol-2-oneMLS0003396367-methyl-3-nitroso-1H-indol-2-ol1H-Indole-2,3-dione, 7-methyl-, 3-oximeSMR000242053(3Z)-3-(hydroxyimino)-7-methyl-2,3-dihydro-1H-indol-2-oneSR-01000774842CHEMBL1571559SCHEMBL27800096
Show more names
3-(hydroxyamino)-7-methylindol-2-one
SCHEMBL28783563DTXSID50418737ABYOCIIPFCSZNI-UHFFFAOYSA-NHMS2749J11NAA20896STK946084STL373877AKOS005647306
Database identifiers
- CAS
13208-96-3- PubChem CID
- 600593
- DTXSID
DTXSID50418737- ChEMBL
CHEMBL1571559- Nikkaji
- J497.760B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
Solubility>26.4 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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