Basic information
- CAS
25410-78-0- Standard SMILES
COc1ccc(C2=[N+]([O-])c3ccccc3C2=O)cc1- InChIKey
ZPCJCVQIWZJBSH-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-3-oxo-3H-indole 1-oxide
- IUPAC
- 2-(4-methoxyphenyl)-1-oxidoindol-1-ium-3-one
Names & synonyms
2-(4-Methoxyphenyl)-3-oxo-3H-indole 1-oxideCHEMBL581422NSC62610425410-78-0TCMDC-123940NSC81014BDBM50235857MFCD05671205NSC-81014STL522517AKOS030500526NSC-626104
Show more names
SY4856242-(4-methoxyphenyl)-3H-indol-3-one 1-oxide2-(4-methoxyphenyl)-1-oxido-indol-1-ium-3-one3H-Indol-3-one, 2-(4-methoxyphenyl)-, 1-oxide
Database identifiers
- CAS
25410-78-0- PubChem CID
- 255448
- DTXSID
DTXSID70948268- ChEMBL
CHEMBL581422- Nikkaji
- J1.829.151G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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