2,3',4,6-Tetrahydroxybenzophenone

CAT: 0127-OR1063658Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063658Size:1 mg

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CAS Number

26271-33-0

MDL Number

MFCD19441064

Purity

98%

Smiles

O=C (C1=CC=CC (O) =C1) C2=C (O) C=C (O) C=C2O

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 Number	26271-33-0
PubChem CID	440991
IUPAC Name	(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Molecular Formula	C13H10O5
Molecular Weight	246.21
XLogP	2.4
Topological Polar Surface Area	98
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	294

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

CAS: 26271-33-0

CID: 440991

Formula: C13H10O5

MW: 246.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.21
XLogP3	2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	246.05282342
Monoisotopic Mass	246.05282342
Topological Polar Surface Area	98 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	294
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR41023-01	2,3,4,4'-Tetrahydroxybenzophenone
OR75211-01	4,4,4',4',6,6,6',6'-Octamethyl-2,2'-bi (1,3,2-dioxaborinane)
OR1003668-01	2,3,4,5,6,6-Hexachlorocyclohexa-2,4-dienone
PC10302	2,3,4,5,6-Pentafluorophenyl 2,4,6-triisopropylbenzenesulphonate
PC11269	2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulphonate
PC11276	2,3,4,5,6-Pentafluorophenyl 2,3,4,5,6-pentamethylbenzenesulphonate
PC106736	2- (3,3,4,4,5,5,6,6,6-Nonafluorohexoxymethyl) oxirane
PC6810-01	2,3,4,6-Tetrafluoronitrobenzene
PC10546	2,3,4,6-tetrafluoropyridine
OR32700	2,3,4,6-Tetramethoxybenzaldehyde

Catalog	Name
BBA27133-01	2,3',4,6-Tetrahydroxybenzophenone
sc-474809	2,3',4,4'-Tetrahydroxybenzophenone
sc-476121	2,3,4,4'-Tetrahydroxybenzophenone
T05695	2,3,4,4-Tetrahydroxybenzophenone, 98%
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
HY-W654025	2,2′,4,4′-Tetrahydroxybenzophenone-d4
AR-D07191-01	2,2',4,4'-Tetrahydroxybenzophenone-d4
IBA09117-01	2,2',3,3',4,4',6,6'-Octachlorobiphenyl
419427-01	2, 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