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2885-46-3 | 9,10-Anthracenedione, 1,2,5,8-tetrakis(acetyloxy)-
CAS No: 2885-46-3 Catalog No: AG002WTR MDL No:
Product Description
Catalog Number:
AG002WTR
Chemical Name:
9,10-Anthracenedione, 1,2,5,8-tetrakis(acetyloxy)-
CAS Number:
2885-46-3
Molecular Formula:
C22H16O10
Molecular Weight:
440.3564
IUPAC Name:
(4,5,6-triacetyloxy-9,10-dioxoanthracen-1-yl) acetate
InChI:
InChI=1S/C22H16O10/c1-9(23)29-14-7-8-15(30-10(2)24)19-18(14)20(27)13-5-6-16(31-11(3)25)22(32-12(4)26)17(13)21(19)28/h5-8H,1-4H3
InChI Key:
XTSWMTDFVMMADU-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(ccc2c1C(=O)c1c(C2=O)c(ccc1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
833
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.074g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.36g/mol
Monoisotopic Mass:
440.074g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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