Basic information
- CAS
22366-95-6- Standard SMILES
COC(=O)N1CCCCCC1=O- InChIKey
IGLVJNLKDDZTPI-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- Methyl 2-oxoazepane-1-carboxylate
- IUPAC
- methyl 2-oxoazepane-1-carboxylate
Names & synonyms
Methyl 2-oxoazepane-1-carboxylate22366-95-6DTXSID80565783RefChem:354451DTXCID40516559
Database identifiers
- CAS
22366-95-6- PubChem CID
- 14940596
- DTXSID
DTXSID80565783- Nikkaji
- J1.714.312C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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