CAS 1139-83-9 | 6H-Dibenzo[b,d]pyran-6-one, 3-hydroxy- | CAS Number 1139-83-9

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1139-83-9 | 6H-Dibenzo[b,d]pyran-6-one, 3-hydroxy-

CAS No: 1139-83-9 Catalog No: AG000A17 MDL No:MFCD00034338

Product Description

Catalog Number:

AG000A17

Chemical Name:

6H-Dibenzo[b,d]pyran-6-one, 3-hydroxy-

CAS Number:

1139-83-9

Molecular Formula:

C13H8O3

Molecular Weight:

212.2008

MDL Number:

MFCD00034338

IUPAC Name:

3-hydroxybenzo[c]chromen-6-one

InChI:

InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H

InChI Key:

WXUQMTRHPNOXBV-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)oc(=O)c1c2cccc1

UNII:

B1S2YM5F6G

NSC Number:

94726

Properties

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.204g/mol

Monoisotopic Mass:

212.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Phase II Conjugates of Urolithins Isolated from Human Urine and Potential Role of β-Glucuronidases in Their Disposition.	Drug metabolism and disposition: the biological fate of chemicals 20170601
Isolation of Human Intestinal Bacteria Capable of Producing the Bioactive Metabolite Isourolithin A from Ellagic Acid.	Frontiers in microbiology 20170101
Descriptor analysis of estrogen receptor β-selective ligands using 2-phenylquinoline, tetrahydrofluorenone and 3-hydroxy 6H-benzo[c]chromen-6-one scaffolds.	Journal of enzyme inhibition and medicinal chemistry 20111201
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Metabolism of antioxidant and chemopreventive ellagitannins from strawberries, raspberries, walnuts, and oak-aged wine in humans: identification of biomarkers and individual variability.	Journal of agricultural and food chemistry 20050126