CAS 10088-98-9 | 9,10-Anthracenedione, 1,6,8-trihydroxy-2-(hydroxymethyl)- | CAS Number 10088-98-9

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10088-98-9 | 9,10-Anthracenedione, 1,6,8-trihydroxy-2-(hydroxymethyl)-

CAS No: 10088-98-9 Catalog No: AG00033L MDL No:

Product Description

Catalog Number:

AG00033L

Chemical Name:

9,10-Anthracenedione, 1,6,8-trihydroxy-2-(hydroxymethyl)-

CAS Number:

10088-98-9

Molecular Formula:

C15H10O6

Molecular Weight:

286.2363

IUPAC Name:

1,6,8-trihydroxy-2-(hydroxymethyl)anthracene-9,10-dione

InChI:

InChI=1S/C15H10O6/c16-5-6-1-2-8-12(13(6)19)15(21)11-9(14(8)20)3-7(17)4-10(11)18/h1-4,16-19H,5H2

InChI Key:

SDVJCGYYQILFQU-UHFFFAOYSA-N

SMILES:

OCc1ccc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O

Properties

Complexity:

449

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.239g/mol

Monoisotopic Mass:

286.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Biochemical analysis of oxidative stress in the production of aflatoxin and its precursor intermediates.	Mycopathologia 20060901
Function of the cypX and moxY genes in aflatoxin biosynthesis in Aspergillus parasiticus.	Applied and environmental microbiology 20050601