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89701-81-5 | 9,10-Anthracenedione, 1,3,4,5-tetrakis(acetyloxy)-2-methyl-
CAS No: 89701-81-5 Catalog No: AG0042PG MDL No:
Product Description
Catalog Number:
AG0042PG
Chemical Name:
9,10-Anthracenedione, 1,3,4,5-tetrakis(acetyloxy)-2-methyl-
CAS Number:
89701-81-5
Molecular Formula:
C23H18O10
Molecular Weight:
454.3830
IUPAC Name:
(5,7,8-triacetyloxy-6-methyl-9,10-dioxoanthracen-1-yl) acetate
InChI:
InChI=1S/C23H18O10/c1-9-21(31-11(3)25)17-18(23(33-13(5)27)22(9)32-12(4)26)20(29)16-14(19(17)28)7-6-8-15(16)30-10(2)24/h6-8H,1-5H3
InChI Key:
UEPPOYFGIACBRC-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc2c1C(=O)c1c(C2=O)c(OC(=O)C)c(c(c1OC(=O)C)OC(=O)C)C
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.09g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.387g/mol
Monoisotopic Mass:
454.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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