7-Methoxy-1H-indole-3-carbonitrile
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Basic information
- CAS
944086-19-5- Standard SMILES
COc1cccc2c(C#N)c[nH]c12- InChIKey
BYAXAJXDIMMKGX-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Names & identifiers
- Preferred name
- 7-Methoxy-1H-indole-3-carbonitrile
- IUPAC
- 7-methoxy-1H-indole-3-carbonitrile
- English name
- 1H-Indole-3-carbonitrile, 7-Methoxy-
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
7-METHOXY-1H-INDOLE-3-CARBONITRILE944086-19-5SCHEMBL5316264BYAXAJXDIMMKGX-UHFFFAOYSA-N1H-Indole-3-carbonitrile, 7-Methoxy-
Database identifiers
- CAS
944086-19-5- PubChem CID
- 53418970
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 385 · 385.0±22.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 14.09 · 14.09±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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