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CAT: 0926-FE65021-03Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FE65021-03Size:25 g

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CAS Number

52479-85-3

MDL Number

MFCD00082966

Smiles

C1=CC (=C (C (=C1C (=O) C2=CC (=C (C (=C2) O) O) O) O) O) O

Molecular Formula

C13H10O7

Molecular Weight

278.21 g/mol

Controlled

Chemical Information

Exifone

(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is a member of benzophenones.

CAS Number	52479-85-3
PubChem CID	40399
IUPAC Name	(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
Molecular Formula	C13H10O7
Molecular Weight	278.21
XLogP	1.7
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	349

SMILES

C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O

InChI

InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H

InChIKey

XEDWWPGWIXPVRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52479-85-3

CID: 40399

Formula: C13H10O7

MW: 278.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.21
XLogP3	1.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	278.04265265
Monoisotopic Mass	278.04265265
Topological Polar Surface Area	138 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	349
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
TRC-E958200-5G	Exifone