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113720-10-8

113720-10-8 | 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis[8-methoxy-3-methyl-

CAS No: 113720-10-8 Catalog No: AG0009GF MDL No:

Product Description

Catalog Number:
AG0009GF
Chemical Name:
1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis[8-methoxy-3-methyl-
CAS Number:
113720-10-8
Molecular Formula:
C26H22O6
Molecular Weight:
430.4493
IUPAC Name:
5-methoxy-3-[2-(8-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)ethyl]-2-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C26H22O6/c1-13-15(25(29)21-17(23(13)27)7-5-9-19(21)31-3)11-12-16-14(2)24(28)18-8-6-10-20(32-4)22(18)26(16)30/h5-10H,11-12H2,1-4H3
InChI Key:
CTIJBNSIEBMTES-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)C(=C(C2=O)C)CCC1=C(C)C(=O)c2c(C1=O)c(OC)ccc2

Properties

Complexity:
835  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.142g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.456g/mol
Monoisotopic Mass:
430.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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