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Quinhydrone

CAT: 0931-Fr14574-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-Fr14574-01Size:1 g
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CAS Number
106-34-3
Bioactivity
Compound AA0083QP, with CAS No. 106-34-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound AA0083QP provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Oc1ccc(O)cc1.O=C1C=CC(=O)C=C1
Molecular Formula
C12H10O4
Molecular Weight
218.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Quinhydrone

Quinhydrone is an addition compound. It contains a 1,4-benzoquinone and a hydroquinone.

CAS Number106-34-3
PubChem CID7801
IUPAC Namebenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione
Molecular FormulaC12H10O4
Molecular Weight218.20
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity204
SMILES
C1=CC(=O)C=CC1=O.C1=CC(=CC=C1O)O
InChI
InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H
InChIKey
BDJXVNRFAQSMAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinhydrone
CAS: 106-34-3
CID: 7801
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.20
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area74.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W140236Quinhydrone
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02242 00100Quinhydrone 97% AR

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