Basic information
- CAS
183156-04-9- Standard SMILES
C1=COCN2C=NC=CC2=C1- InChIKey
PCFIBNFSAQDLNH-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 1h-Pyrimido[1,6-c][1,3]oxazepine
- IUPAC
- 1H-pyrimido[1,6-c][1,3]oxazepine
- English name
- 1H-Pyrimido[1,6-c][1,3]oxazepine(9CI)
- Molecular formula
- C8H8N2O
- Molecular weight
- 148.16
Names & synonyms
1h-pyrimido[1,6-c][1,3]oxazepine183156-04-9DTXSID90666270DB-2596631H-Pyrimido[1,6-c][1,3]oxazepine(9CI)
Database identifiers
- CAS
183156-04-9- PubChem CID
- 45088198
- DTXSID
DTXSID90666270
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 263
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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