Basic information
- CAS
68935-49-9- Standard SMILES
COc1ccc2[nH]cc(CC[N+](=O)[O-])c2c1- InChIKey
IBWJUIWLZZLXAK-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- 5-Methoxy-3-(2-nitroethyl)-1H-indole
- IUPAC
- 5-methoxy-3-(2-nitroethyl)-1H-indole
Names & synonyms
5-Methoxy-3-(2-nitroethyl)-1H-indole68935-49-9DTXSID80563183RefChem:303790DTXCID10513959SCHEMBL28704885SCHEMBL29440786
Database identifiers
- CAS
68935-49-9- PubChem CID
- 14702425
- DTXSID
DTXSID80563183
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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