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2,3',4,6-Tetrahydroxybenzophenone

CAT: 0804-HY-N1651-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1651-01Size:1 mg
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Description
2,3',4,6-Tetrahydroxybenzophenone, a kind of benzophenone, is the immediate precursor of xanthones in higher plants[1].
CAS Number
26271-33-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=CC(O)=C1)C2=C(O)C=C(O)C=C2O
Molecular Formula
C13H10O5
Molecular Weight
246.22
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]L Beerhues. Benzophenone synthase from cultured cells of Centaurium erythraea. FEBS Lett. 1996 Apr 1;383 (3) :264-6.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2,3',4,6-Tetrahydroxybenzophenone

2,3',4,6-tetrahydroxybenzophenone is a hydroxybenzophenone. It is a conjugate acid of a 2,3',4,6-tetrahydroxybenzophenone(1-).

CAS Number26271-33-0
PubChem CID440991
IUPAC Name(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Molecular FormulaC13H10O5
Molecular Weight246.21
XLogP2.4
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity294
SMILES
C1=CC(=CC(=C1)O)C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
InChIKey
QWRYPHZJTWQLFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3',4,6-Tetrahydroxybenzophenone
CAS: 26271-33-0
CID: 440991
Formula: C13H10O5
MW: 246.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.21
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass246.05282342
Monoisotopic Mass246.05282342
Topological Polar Surface Area98 Ų
Heavy Atom Count18
Formal Charge0
Complexity294
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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Alternative Products

CatalogName
BBA27133-012,3',4,6-Tetrahydroxybenzophenone
sc-4748092,3',4,4'-Tetrahydroxybenzophenone
sc-4761212,3,4,4'-Tetrahydroxybenzophenone
T056952,3,4,4-Tetrahydroxybenzophenone, 98%
419555-012,2′,4,4′-Tetrahydroxybenzophenone
FT55663-012,2',4,4'-tetrahydroxybenzophenone
AR-D07191-012,2',4,4'-Tetrahydroxybenzophenone-d4
419556-012,2′,4,4′-Tetrahydroxybenzophenone-d4
IBA09117-012,2',3,3',4,4',6,6'-Octachlorobiphenyl
419427-012, ​2, ​4, ​4, ​6, ​6-​Hexakis (2, ​2, ​3, ​3, ​4, ​4-​hexafluorobutoxy) ​-​2, ​2, ​4, ​4, ​6, ​6-​hexahydro-1, ​3, ​5, ​2, ​4, ​6-​Triazatriphosphorine​

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