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Tetrahydroxy-1,4-quinone

CAT: 0024-sc-296508ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-296508ASize:5 g
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CAS Number
123334-16-7

Chemical Information

2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, hydrate
CAS Number123334-16-7
PubChem CID6420048
IUPAC Name2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione;hydrate
Molecular FormulaC6H6O7
Molecular Weight190.11
Topological Polar Surface Area116
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity272
SMILES
C1(=C(C(=O)C(=C(C1=O)O)O)O)O.O
InChI
InChI=1S/C6H4O6.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h7-8,11-12H;1H2
InChIKey
CJFTUKFVMMYYHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, hydrate
CAS: 123334-16-7
CID: 6420048
Formula: C6H6O7
MW: 190.11
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.11
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass190.01135253
Monoisotopic Mass190.01135253
Topological Polar Surface Area116 Ų
Heavy Atom Count13
Formal Charge0
Complexity272
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

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Alternative Products

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T06000-01Tetrahydroxy-1,4-quinone hydrate
FT42982-01Tetrahydroxy-1,4-benzoquinone disodium
JH97581Tetrahydroxy-1,4-benzoquinone Hydrate
OR1015200-01Tetrahydroxy-1,4-Benzoquinone Disodium Salt
TN24931,4,5,6-Tetrahydroxy-7-prenylxanthone
FT66115-011,4,6,8-Tetrahydroxy-3-methylanthraquinone
GTR191829161,4,5,6-Tetrahydroxy-7,8-diprenylxanthone
XT161891-012',4',6',4-Tetrahydroxy-3-methoxydihydrochalcone
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