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Tropolone (NSC 89303)

CAT: 0957-S5688-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S5688-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
533-75-5
Synonyms
2-Hydroxytropone, Purpurocatechol
Target
Others
Applications
Others
Smiles
C1=CC=C (C (=O) C=C1) O
Molecular Formula
C7H6O2
Additionnal Information
Tropolone (NSC 89303, 2-Hydroxytropone, Purpurocatechol), a metal chelator, possesses weak antioxidative and radical-scavenging properties and shows a strong affinity for ferric ion. It is able to inhibit ferric iron reduction by catecholates, lowering the redox potential of the iron couple.
Storage Conditions
3 years -20°C powder

Chemical Information

Tropolone

Tropolone is a cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. It has a role as a fungicide, a toxin and a bacterial metabolite. It is an alpha-hydroxy ketone, an enol and a cyclic ketone. It derives from a hydride of a cyclohepta-1,3,5-triene.

CAS Number533-75-5
PubChem CID10789
IUPAC Name2-hydroxycyclohepta-2,4,6-trien-1-one
Molecular FormulaC7H6O2
Molecular Weight122.12
XLogP0.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity209
SMILES
C1=CC=C(C(=O)C=C1)O
InChI
InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChIKey
MDYOLVRUBBJPFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tropolone
CAS: 533-75-5
CID: 10789
Formula: C7H6O2
MW: 122.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass122.036779430
Monoisotopic Mass122.036779430
Topological Polar Surface Area37.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity209
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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