Basic information
- CAS
61738-29-2- Standard SMILES
O=[N+]([O-])C(CO)C(CO)[N+](=O)[O-]- InChIKey
FKLGNCOAXPVUNO-UHFFFAOYSA-N- Molecular formula
- C4H8N2O6
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.03823598
Names & identifiers
- Preferred name
- 1,4-Butanediol, 2,3-dinitro-
- IUPAC
- 2,3-dinitrobutane-1,4-diol
Names & synonyms
2,3-dinitrobutane-1,4-diol1,4-Butanediol, 2,3-dinitro-NSC28169161738-29-2DTXSID70314247NSC281690NSC-281690NSC-281691
Database identifiers
- CAS
61738-29-2- PubChem CID
- 322986
- DTXSID
DTXSID70314247
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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