Basic information
- CAS
77791-69-6- Standard SMILES
CCOC(=O)CONC1=CC=CC=CO1- InChIKey
ZWVGCNLIBOKKAP-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Names & identifiers
- Preferred name
- Ethyl 2-(oxepin-2-ylamino)oxyacetate
- IUPAC
- ethyl 2-(oxepin-2-ylamino)oxyacetate
Names & synonyms
ethyl 2-(oxepin-2-ylamino)oxyacetate77791-69-6DTXSID20275596Ethyl {[(oxepin-2-yl)amino]oxy}acetate
Database identifiers
- CAS
77791-69-6- PubChem CID
- 53780
- DTXSID
DTXSID20275596
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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