Basic information
- CAS
90532-54-0- Standard SMILES
CCCC1OCC(CO)([N+](=O)[O-])CO1- InChIKey
UGUHSIXWNVDXDB-UHFFFAOYSA-N- Molecular formula
- C8H15NO5
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.09502258
Names & identifiers
- Preferred name
- (5-Nitro-2-propyl-1,3-dioxan-5-yl)methanol
- IUPAC
- (5-nitro-2-propyl-1,3-dioxan-5-yl)methanol
Names & synonyms
90532-54-0(5-nitro-2-propyl-1,3-dioxan-5-yl)methanolNSC68478DTXSID80290407NSC-68478
Database identifiers
- CAS
90532-54-0- PubChem CID
- 249784
- DTXSID
DTXSID80290407
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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