2-(2-Nitrophenyl)propane-1,3-diol
Basic information
- CAS
15121-85-4- Standard SMILES
O=[N+]([O-])c1ccccc1C(CO)CO- InChIKey
KZJIJJUXIGOECZ-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- 2-(2-Nitrophenyl)propane-1,3-diol
- IUPAC
- 2-(2-nitrophenyl)propane-1,3-diol
Names & synonyms
2-(2-Nitrophenyl)propane-1,3-diol15121-85-4SCHEMBL2941917SCHEMBL29834848DTXSID90545374KZJIJJUXIGOECZ-UHFFFAOYSA-N2-(2-nitrophenyl)-1,3-propanediol2-(2-nitrophenyl)-propane-1,3-diolAKOS006294715
Database identifiers
- CAS
15121-85-4- PubChem CID
- 13627673
- DTXSID
DTXSID90545374
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…