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139644-28-3 | 9,10-Anthracenedione, 1-hydroxy-2,3,5,8-tetramethoxy-6-methyl-
CAS No: 139644-28-3 Catalog No: AG001BFO MDL No:
Product Description
Catalog Number:
AG001BFO
Chemical Name:
9,10-Anthracenedione, 1-hydroxy-2,3,5,8-tetramethoxy-6-methyl-
CAS Number:
139644-28-3
Molecular Formula:
C19H18O7
Molecular Weight:
358.3420
IUPAC Name:
1-hydroxy-2,3,5,8-tetramethoxy-6-methylanthracene-9,10-dione
InChI:
InChI=1S/C19H18O7/c1-8-6-10(23-2)13-14(18(8)25-4)15(20)9-7-11(24-3)19(26-5)17(22)12(9)16(13)21/h6-7,22H,1-5H3
InChI Key:
IEQJWNREVVCVGT-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc2c(c1O)C(=O)c1c(C2=O)c(OC)c(cc1OC)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.346g/mol
Monoisotopic Mass:
358.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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