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89701-79-1 | 9,10-Anthracenedione, 4,5-dihydroxy-1,2-dimethoxy-7-methyl-
CAS No: 89701-79-1 Catalog No: AG0044AD MDL No:
Product Description
Catalog Number:
AG0044AD
Chemical Name:
9,10-Anthracenedione, 4,5-dihydroxy-1,2-dimethoxy-7-methyl-
CAS Number:
89701-79-1
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
4,5-dihydroxy-1,2-dimethoxy-7-methylanthracene-9,10-dione
InChI:
InChI=1S/C17H14O6/c1-7-4-8-12(9(18)5-7)16(21)13-10(19)6-11(22-2)17(23-3)14(13)15(8)20/h4-6,18-19H,1-3H3
InChI Key:
XEWRTZLESCLJSY-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.293g/mol
Monoisotopic Mass:
314.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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