Basic information
- CAS
89807-63-6- Standard SMILES
CC(C)(C)c1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
PYDCLHKJDJWDKG-UHFFFAOYSA-N- Molecular formula
- C19H19NO3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.13649347
Names & identifiers
- Preferred name
- 3-(4-Tert-butylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
- IUPAC
- 3-(4-tert-butylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Names & synonyms
3-(4-tert-butylphenyl)-1-(4-nitrophenyl)prop-2-en-1-oneDTXSID90397971AKOS034379953
Database identifiers
- CAS
89807-63-6- PubChem CID
- 3921173
- DTXSID
DTXSID90397971
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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