3-Penten-2-one, 4-hydroxy-3-(4-nitrophenyl)-
Basic information
- CAS
123532-35-4- Standard SMILES
CC(=O)C(=C(C)O)c1ccc([N+](=O)[O-])cc1- InChIKey
AYZPDYXHQIGAHR-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 3-Penten-2-one, 4-hydroxy-3-(4-nitrophenyl)-
- IUPAC
- 4-hydroxy-3-(4-nitrophenyl)pent-3-en-2-one
Names & synonyms
123532-35-43-Penten-2-one, 4-hydroxy-3-(4-nitrophenyl)-4-hydroxy-3-(4-nitrophenyl)pent-3-en-2-oneDTXSID40337241
Database identifiers
- CAS
123532-35-4- PubChem CID
- 540432
- DTXSID
DTXSID40337241
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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