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90985-58-3

90985-58-3 | 9,10-Anthracenedione, 1,2-dihydroxy-6,7,8-trimethoxy-3-methyl-

CAS No: 90985-58-3 Catalog No: AG006G52 MDL No:

Product Description

Catalog Number:
AG006G52
Chemical Name:
9,10-Anthracenedione, 1,2-dihydroxy-6,7,8-trimethoxy-3-methyl-
CAS Number:
90985-58-3
Molecular Formula:
C18H16O7
Molecular Weight:
344.3154
IUPAC Name:
1,2-dihydroxy-6,7,8-trimethoxy-3-methylanthracene-9,10-dione
InChI:
InChI=1S/C18H16O7/c1-7-5-8-11(16(22)13(7)19)15(21)12-9(14(8)20)6-10(23-2)17(24-3)18(12)25-4/h5-6,19,22H,1-4H3
InChI Key:
VUVVKGDLHYXJFW-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cc(c(c1O)O)C

Properties

Complexity:
536  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.09g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
344.319g/mol
Monoisotopic Mass:
344.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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