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2,4,6-Trihydroxybenzophenone

CAT: 1596-AR-B06797-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B06797-02Size:25 Units
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CAS Number
3555-86-0
Molecular Formula
C13H10O4
Molecular Weight
230.22
API Name
Benzophenone

Chemical Information

2,4,6-Trihydroxybenzophenone

2,4,6-trihydroxybenzophenone is a benzenetriol that is benzophenone in which one of the phenyl groups is substituted at by hydroxy groups at positions 2, 4, and 6. It is a benzenetriol and a hydroxybenzophenone. It is a conjugate acid of a 2,4,6-trihydroxybenzophenone(1-).

CAS Number3555-86-0
PubChem CID77093
IUPAC Namephenyl-(2,4,6-trihydroxyphenyl)methanone
Molecular FormulaC13H10O4
Molecular Weight230.22
XLogP2.8
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity261
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H
InChIKey
CPEXFJVZFNYXGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trihydroxybenzophenone
CAS: 3555-86-0
CID: 77093
Formula: C13H10O4
MW: 230.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.22
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass230.05790880
Monoisotopic Mass230.05790880
Topological Polar Surface Area77.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity261
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
FT70586-012,4,6-Trihydroxybenzophenone
TDA79620-013-Prenyl-2,4,6-trihydroxybenzophenone
sc-2310052,4,4'-Trihydroxybenzophenone
FT71143-012,3,4-Trihydroxybenzophenone
419920-012,3,4-Trihydroxybenzophenone-2’,3’,4’,5’,6’-d5
sc-4756372,3,4-Trihydroxybenzophenone-2′,3′,4′,5′,6′-d5
T24696-012,3,4-Trihydroxybenzophenone 99%
HY-D0272S-012,3,4-Trihydroxybenzophenone-d5
TN28623- (3-Hydroxy-3-methylbutanyl) -2,4,6-trihydroxybenzophenone
MBS57614373-(3-Hydroxy-3-methylbutanyl)-2,4,6-trihydroxybenzophenone

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