CAS 10425-11-3 | (3,4-Dihydroxyphenyl)(phenyl)methanone | CAS Number 10425-11-3

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10425-11-3 | (3,4-Dihydroxyphenyl)(phenyl)methanone

CAS No: 10425-11-3 Catalog No: AG003IHO MDL No:MFCD00477203

Product Description

Catalog Number:

AG003IHO

Chemical Name:

(3,4-Dihydroxyphenyl)(phenyl)methanone

CAS Number:

10425-11-3

Molecular Formula:

C13H10O3

Molecular Weight:

214.2167

MDL Number:

MFCD00477203

IUPAC Name:

(3,4-dihydroxyphenyl)-phenylmethanone

InChI:

InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H

InChI Key:

ARWCZKJISXFBGI-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(c(c1)O)O)c1ccccc1

Properties

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.22g/mol

Monoisotopic Mass:

214.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Pseudopolymorphism in hydroxybenzophenones: the dihydrate of 2,2',4,4'-tetrahydroxybenzophenone.	Acta crystallographica. Section C, Crystal structure communications 20120401
Small molecule AKAP-protein kinase A (PKA) interaction disruptors that activate PKA interfere with compartmentalized cAMP signaling in cardiac myocytes.	The Journal of biological chemistry 20110318
A monohydrate pseudopolymorph of 3,4-dihydroxybenzophenone and the role of water in the crystal assembly of benzophenones.	Acta crystallographica. Section C, Crystal structure communications 20100901