Basic information
- CAS
90714-27-5- Standard SMILES
COC1=NC=C(C(C)=O)C=CC1- InChIKey
GWGWQVQDNHXPPH-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
Names & identifiers
- Preferred name
- 1-(2-methoxy-3H-azepin-6-yl)ethanone
- IUPAC
- 1-(2-methoxy-3H-azepin-6-yl)ethanone
- English name
- Ethanone, 1-(2-methoxy-3H-azepin-6-yl)- (9CI)
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.18914
Names & synonyms
90714-27-5DB-276004ETHANONE, 1-(2-METHOXY-3H-AZEPIN-6-YL)-Ethanone, 1-(2-methoxy-3H-azepin-6-yl)- (9CI)
Database identifiers
- CAS
90714-27-5
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 274
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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