Basic information
- Standard SMILES
O=[N+]([O-])c1ccn(C[C@H](O)CO)n1- InChIKey
ZUSPFSUCASNJGO-YFKPBYRVSA-N- Molecular formula
- C6H9N3O4
- Average molar mass
- 187.15 g/mol
Names & identifiers
- Preferred name
- (S)-3-(3-nitro-1h-pyrazol-1-yl)propane-1,2-diol
- IUPAC
- (2S)-3-(3-nitropyrazol-1-yl)propane-1,2-diol
Names & synonyms
(S)-3-(3-nitro-1h-pyrazol-1-yl)propane-1,2-diol1003011-68-4SCHEMBL1063438ZUSPFSUCASNJGO-YFKPBYRVSA-NSY468833DB-200553(S)-3-(3-nitro-pyrazol-1-yl)propane-1,2-diol(S)-3-(3-nitro-pyrazol-1-yl)-propane-1,2-diol
Database identifiers
- PubChem CID
- 59344949
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
6 records
Compound notes
Loading…