CAS 13087-18-8 | Methanone, (2,4-dihydroxyphenyl)(2-hydroxyphenyl)- | CAS Number 13087-18-8

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13087-18-8 | Methanone, (2,4-dihydroxyphenyl)(2-hydroxyphenyl)-

CAS No: 13087-18-8 Catalog No: AG000V1X MDL No:

Product Description

Catalog Number:

AG000V1X

Chemical Name:

Methanone, (2,4-dihydroxyphenyl)(2-hydroxyphenyl)-

CAS Number:

13087-18-8

Molecular Formula:

C13H10O4

Molecular Weight:

230.2161

IUPAC Name:

(2,4-dihydroxyphenyl)-(2-hydroxyphenyl)methanone

InChI:

InChI=1S/C13H10O4/c14-8-5-6-10(12(16)7-8)13(17)9-3-1-2-4-11(9)15/h1-7,14-16H

InChI Key:

FLYXGBNUYGAFAC-UHFFFAOYSA-N

SMILES:

Oc1ccc(c(c1)O)C(=O)c1ccccc1O

Properties

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.219g/mol

Monoisotopic Mass:

230.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Bromoalkoxyxanthones as promising antitumor agents: synthesis, crystal structure and effect on human tumor cell lines.	European journal of medicinal chemistry 20090901
Natural polyprenylated benzophenones inhibiting cysteine and serine proteases.	European journal of medicinal chemistry 20090301
2,2',4-trihydroxybenzophenone: crystal structure, and anti-inflammatory and antioxidant activities.	Chemistry & biodiversity 20070301