o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate
Basic information
- CAS
100836-61-1- Standard SMILES
CN(N=O)C(=O)Oc1ccccc1C1OCCO1- InChIKey
RIJUYWWRABLOHF-UHFFFAOYSA-N- Molecular formula
- C11H12N2O5
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.07462149
Names & identifiers
- Preferred name
- o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate
- IUPAC
- [2-(1,3-dioxolan-2-yl)phenyl] N-methyl-N-nitrosocarbamate
Names & synonyms
100836-61-1Nitroso dioxacarbo-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamateMethylnitrosocarbamic acid o-(1,3-dioxolan-2-yl)phenyl esterCarbamic acid, methylnitroso-, o-(1,3-dioxolan-2-yl)phenyl ester2-(1,3-dioxolan-2-yl)phenyl methyl(nitroso)carbamateDTXSID80905781
Database identifiers
- CAS
100836-61-1- PubChem CID
- 58047
- DTXSID
DTXSID80905781- Nikkaji
- J69.358H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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