Basic information
- CAS
2183-95-1- Standard SMILES
COC1=NC=CC=CC1- InChIKey
IMMKFDNSSMLDHB-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- 2-Methoxy-3H-azepine
- IUPAC
- 2-methoxy-3H-azepine
Names & synonyms
2183-95-12-Methoxy-3H-azepine3H-Azepine, 2-methoxy-methoxy 3h azepineNSC3152722-Methoxy-3H-azepine #DTXSID90317417IMMKFDNSSMLDHB-UHFFFAOYSA-NNSC-315272
Database identifiers
- CAS
2183-95-1- PubChem CID
- 330002
- DTXSID
DTXSID90317417- Nikkaji
- J1.969.739H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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