Basic information
- Standard SMILES
O=C(O)C=CC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
GFVBMDVUFRTYOA-UHFFFAOYSA-N- Molecular formula
- C10H7NO5
- Average molar mass
- 221.17 g/mol
Names & identifiers
- Preferred name
- 3-(3-Nitrobenzoyl)acrylic acid
- IUPAC
- 4-(3-nitrophenyl)-4-oxobut-2-enoic acid
Names & synonyms
4-(3-nitrophenyl)-4-oxobut-2-enoic acidSCHEMBL7264533-(3-nitrobenzoyl)acrylic acidGFVBMDVUFRTYOA-UHFFFAOYSA-NDS-0130792-Butenoic acid,4-(3-nitrophenyl)-4-oxo-4-(3'-nitrophenyl)-4-oxo-2-butenoic acid
Database identifiers
- PubChem CID
- 235751
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Related reactions
5 records
Compound notes
Loading…