CAS 13076-29-4 | Anthracene, 1,4-dimethoxy- | CAS Number 13076-29-4

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13076-29-4 | Anthracene, 1,4-dimethoxy-

CAS No: 13076-29-4 Catalog No: AG000UXT MDL No:

Product Description

Catalog Number:

AG000UXT

Chemical Name:

Anthracene, 1,4-dimethoxy-

CAS Number:

13076-29-4

Molecular Formula:

C16H14O2

Molecular Weight:

238.2812

IUPAC Name:

1,4-dimethoxyanthracene

InChI:

InChI=1S/C16H14O2/c1-17-15-7-8-16(18-2)14-10-12-6-4-3-5-11(12)9-13(14)15/h3-10H,1-2H3

InChI Key:

YCTBFSAWJWMRGO-UHFFFAOYSA-N

SMILES:

COc1ccc(c2c1cc1ccccc1c2)OC

NSC Number:

106547

Properties

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.286g/mol

Monoisotopic Mass:

238.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
In silico identification and biochemical characterization of novel inhibitors of NQO1.	Bioorganic & medicinal chemistry letters 20061215
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
Syntheses and bioactivities of substituted 9,10-dihydro-9,10-[1,2]benzenoanthracene-1,4,5,8-tetrones. Unusual reactivities with amines.	The Journal of organic chemistry 20020503