Prohexadione-Calcium
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Basic Info
| Common Name | Prohexadione-Calcium(F05829) |
| 2D Structure | |
| FRCD ID | F05829 |
| CAS Number | 127277-53-6 |
| PubChem CID | 12001831 |
| Formula | C10H10CaO5 |
| IUPAC Name | calcium;4-(1-oxidopropylidene)-3,5-dioxocyclohexane-1-carboxylate |
| InChI Key | NLKUPINTOLSSLD-UHFFFAOYSA-L |
| InChI | InChI=1S/C10H12O5.Ca/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h5,11H,2-4H2,1H3,(H,14,15);/q;+2/p-2 |
| Canonical SMILES | CCC(=C1C(=O)CC(CC1=O)C(=O)[O-])[O-].[Ca+2] |
| Isomeric SMILES | CCC(=C1C(=O)CC(CC1=O)C(=O)[O-])[O-].[Ca+2] |
| Synonyms |
Prohexadione-Calcium
calcium 4-(1-oxidopropylidene)-3,5-dioxocyclohexanecarboxylate
Prohexadione calcium
127277-53-6
ProCa
Medax Top
Pro-Ca
SCHEMBL1067146
DTXSID9034496
CHEBI:137425
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organic acids and derivatives |
| Class | Vinylogous acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Vinylogous acids |
| Alternative Parents | |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Vinylogous acid - Carboxylic acid salt - Cyclic ketone - Ketone - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Enolate - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as vinylogous acids. These are organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 250.263 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Complexity | 327 |
| Monoisotopic Mass | 250.015 |
| Exact Mass | 250.015 |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Other Poultry,Eggs | Japan | 0.05ppm | |||
| Chicken,Eggs | Japan | 0.05ppm | |||
| Chicken,Edible Offal | Japan | 0.05ppm | |||
| Other Poultry Animals,Kidney | Japan | 0.05ppm | |||
| Chicken,Kidney | Japan | 0.05ppm | |||
| Other Poultry Animals,Liver | Japan | 0.05ppm | |||
| Chicken,Liver | Japan | 0.05ppm | |||
| Other Poultry Animals,Fat | Japan | 0.05ppm | |||
| Chicken,Fat | Japan | 0.05ppm | |||
| Other Poultry Animals,Muscle | Japan | 0.05ppm | |||
| Chicken,Muscle | Japan | 0.05ppm | |||
| Milk | Japan | 0.01ppm | |||
| Other Terrestrial Mammals,Edible Offal | Japan | 0.05ppm | |||
| Pig,Edible Offal | Japan | 0.05ppm | |||
| Cattle,Edible Offal | Japan | 0.05ppm | |||
| Other Terrestrial Mammals,Kidney | Japan | 0.08ppm | |||
| Pig,Kidney | Japan | 0.08ppm | |||
| Cattle,Kidney | Japan | 0.08ppm | |||
| Other Terrestrial Mammals,Liver | Japan | 0.05ppm | |||
| Pig,Liver | Japan | 0.05ppm |