5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide
Basic information
- CAS
20145-06-6- Standard SMILES
CC1([N+](=O)[O-])COP(=O)(O)OC1- InChIKey
BBNWVQWEQDOVJL-UHFFFAOYSA-N- Molecular formula
- C4H8NO6P
- Average molar mass
- 197.08 g/mol
- Monoisotopic mass
- 197.00892397
Names & identifiers
- Preferred name
- 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide
- IUPAC
- 2-hydroxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
Names & synonyms
20145-06-65-methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxideNSC108630DTXSID40296283NSC-1086302-Hydroxy-5-methyl-5-nitro-1,3,2lambda~5~-dioxaphosphinan-2-one
Database identifiers
- CAS
20145-06-6- PubChem CID
- 268447
- DTXSID
DTXSID40296283
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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