Ethanol, 2,2-dinitro-
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Basic information
- CAS
29609-98-1- Standard SMILES
O=[N+]([O-])C(CO)[N+](=O)[O-]- InChIKey
CXLFPNPZGJXQPS-UHFFFAOYSA-N- Molecular formula
- C2H4N2O5
- Average molar mass
- 136.06 g/mol
- Monoisotopic mass
- 136.01202123
Names & identifiers
- Preferred name
- Ethanol, 2,2-dinitro-
- IUPAC
- 2,2-dinitroethanol
- English name
- 2,2-Dinitroethanol
- Molecular formula
- C2H4N2O5
- Molecular weight
- 136.06
Names & synonyms
Ethanol, 2,2-dinitro-29609-98-1DTXSID90183790RefChem:1084451DTXCID301062812,2-DinitroethanolBRN 10724552,2-dinitroethan-1-olSCHEMBL10580576
Database identifiers
- CAS
29609-98-1- PubChem CID
- 207301
- DTXSID
DTXSID90183790- Nikkaji
- J92.960C
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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