| Phytochemical Name : 1-Phenyl-1,2-propanedione |
| PCNDIDOT0439 |
| Pubchem CID : 11363 |
| Molecular formula: C9H8O2 |
| Canonical SMILES : CC(=O)C(=O)C1=CC=CC=C1 |
Synonymes : 1-PHENYL-1,2-PROPANEDIONE|1-Phenylpropane-1,2-dione|579-07-7|Acetylbenzoyl|Benzoylacetyl|Acetyl benzoyl|1,2-Propanedione, 1-phenyl-|Pyruvophenone|Methylphenylglyoxal|Benzoyl methyl ketone|Phenylmethyldiketone|3-Phenyl-2,3-propanedione|Methyl phenyl diketone|Methyl phenyl glyoxal|Phenyl methyl diketone|1-Phenyl-propane-1,2-dione|FEMA No. 3226|1-phenyl-1,2-propandione|CCRIS 6297|NSC 7643|EINECS 209-435-2|UNII-ZB5XA3GD0I|MFCD00008755|ZB5XA3GD0I|AI3-23868|CHEBI:63552|NSC-7643|phenyl-propane dione|alpha-keto-propiophenone|2-OXOPROPIOPHENONE|Phenyl-1,2-Propanedione|D02TLP|1-phenyl-1,2-dioxopropane|1-phenyl-1,2-propane dione|SCHEMBL180411|CHEMBL192258|Phenyl-1,2-propanedione, 1-|SCHEMBL8670415|DTXSID3060372|BDBM22724|FEMA 3226|NSC7643|1-Phenyl-1,2-propanedione, 99%|1-PHENYL-2-OXOPROPAN-1-ONE|s6009|AKOS003382258|CS-W019544|HY-W018758|1-Phenyl-1,2-propanedione, 98%, FG|AS-11744|SY036428|1-PHENYL-1,2-PROPANEDIONE [FHFI]|LS-179806|AM20040761|FT-0608215|P0210|EN300-98681|C17268|F11432|A831668|W-105429|Q27132685|Z1255485389 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.010 |
| Log Po/w (XLOGP3) : 1.720 |
| Log Po/w (WLOGP) : 1.460 |
| Log Po/w (MLOGP) : 1.080 |
| Log Po/w (SILICOS-IT) : 2.030 |
| Consensus Log Po/w : 1.460 |