Cyclohepta-1,4,6-triene-1-carboxamide
Basic information
- CAS
100959-82-8- Standard SMILES
NC(=O)C1=CCC=CC=C1- InChIKey
AVHZJNMNRXOVLP-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- Cyclohepta-1,4,6-triene-1-carboxamide
- IUPAC
- cyclohepta-1,4,6-triene-1-carboxamide
- English name
- 1,4,6-Cycloheptatriene-1-carboxamide(6CI)
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
100959-82-8Cyclohepta-1,4,6-triene-1-carboxamide1,4,6-CYCLOHEPTATRIENE-1-CARBOXAMIDESCHEMBL5486985DTXSID60699656AKOS0063399961,4,6-Cycloheptatriene-1-carboxamide(6CI)
Database identifiers
- CAS
100959-82-8- PubChem CID
- 53427837
- DTXSID
DTXSID60699656
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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