Basic information
- CAS
79485-20-4- Standard SMILES
COC(=O)CCCN(CCOC(C)=O)N=O- InChIKey
FTGTWBHXWOJTLV-UHFFFAOYSA-N- Molecular formula
- C9H16N2O5
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.10592162
Names & identifiers
- Preferred name
- Methyl 4-(2-acetyloxyethylnitrosoamino)butanoate
- IUPAC
- methyl 4-[2-acetyloxyethyl(nitroso)amino]butanoate
Names & synonyms
79485-20-4Methyl 4-(2-acetyloxyethylnitrosoamino)butanoatemethyl 4-{[2-(acetyloxy)ethyl](nitroso)amino}butanoateDTXSID50229709
Database identifiers
- CAS
79485-20-4- PubChem CID
- 190046
- DTXSID
DTXSID50229709
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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