Basic information
- CAS
87149-76-6- Standard SMILES
COC(Cc1nocc1[N+](=O)[O-])OC- InChIKey
IZBCWXMBWRDFFD-UHFFFAOYSA-N- Molecular formula
- C7H10N2O5
- Average molar mass
- 202.16 g/mol
- Monoisotopic mass
- 202.05897142
Names & identifiers
- Preferred name
- 3-(2,2-Dimethoxyethyl)-4-nitro-1,2-oxazole
- IUPAC
- 3-(2,2-dimethoxyethyl)-4-nitro-1,2-oxazole
Names & synonyms
87149-76-63-(2,2-Dimethoxyethyl)-4-nitro-1,2-oxazoleDTXSID50519773RefChem:273372DTXCID704705793-(2,2-Dimethoxyethyl)-4-nitroisoxazoleAKOS030605872F2147-8656
Database identifiers
- CAS
87149-76-6- PubChem CID
- 13123746
- DTXSID
DTXSID50519773
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…