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Prohexadione Calcium technical grade, 95%

CAT: 0565-92825-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0565-92825-01Size:100 mg
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Description
Part B
CAS Number
127277-53-6
Storage Temperature
0 - 4°C

Chemical Information

Prohexadione

Prohexadione is a 4-oxo monocarboxylic acid that is cyclohexanecarboxylic acid which is substituted by oxo groups at positions 3 and 5, and by a propanoyl group at position 4. A plant growth regulator, it is used (commonly as the corresponding calcium salt, known as prohexadione-calcium) as an anti-lodging agent in small-grain cereals. It has a role as a plant growth regulator, an agrochemical and a gibberellin biosynthesis inhibitor. It is a beta-triketone and a 4-oxo monocarboxylic acid. It is a conjugate acid of a prohexadione(2-).

CAS Number127277-53-6
PubChem CID184900
IUPAC Name3,5-dioxo-4-propanoylcyclohexane-1-carboxylic acid
Molecular FormulaC10H12O5
Molecular Weight212.20
XLogP-0.4
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity313
SMILES
CCC(=O)C1C(=O)CC(CC1=O)C(=O)O
InChI
InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,9H,2-4H2,1H3,(H,14,15)
InChIKey
BUCOQPHDYUOJSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prohexadione
CAS: 127277-53-6
CID: 184900
Formula: C10H12O5
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass212.06847348
Monoisotopic Mass212.06847348
Topological Polar Surface Area88.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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