Basic information
- Standard SMILES
CCC(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1- InChIKey
ZXYSWQAXSJFKQY-UHFFFAOYSA-N- Molecular formula
- C10H9NO5
- Average molar mass
- 223.18 g/mol
Names & identifiers
- Preferred name
- 2-Nitro-4-propanoylbenzoic acid
- IUPAC
- 2-nitro-4-propanoylbenzoic acid
Names & synonyms
2-Nitro-4-propanoylbenzoic acid2-nitro-4-propionylbenzoic acid889856-63-7SCHEMBL11853962-nitro-4-propionyl benzoic acidZXYSWQAXSJFKQY-UHFFFAOYSA-NA1-11944
Database identifiers
- PubChem CID
- 66934832
- Nikkaji
- J2.470.459I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Related reactions
2 records
Compound notes
Loading…