Basic information
- CAS
90540-35-5- Standard SMILES
Cc1nccc2c3ccccc3n(N=O)c12- InChIKey
PEGLIYCYNNJUEB-UHFFFAOYSA-N- Molecular formula
- C12H9N3O
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.07456192
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1-methyl-9-nitroso-
- IUPAC
- 1-methyl-9-nitrosopyrido[3,4-b]indole
Names & synonyms
9H-Pyrido(3,4-b)indole, 1-methyl-9-nitroso-90540-35-51-Methyl-9-nitroso-9H-pyrido(3,4-b)indoleNitrosoharman1-METHYL-9-NITROSO-9H-PYRIDO[3,4-B]INDOLEDTXSID30238197
Database identifiers
- CAS
90540-35-5- PubChem CID
- 150313
- DTXSID
DTXSID30238197
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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