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113540-84-4 | [2,2'-Binaphthalene]-1,4-dione, 7,7'-diacetyl-1',8,8'-trihydroxy-6,6'-dimethyl-
CAS No: 113540-84-4 Catalog No: AG0008XS MDL No:
Product Description
Catalog Number:
AG0008XS
Chemical Name:
[2,2'-Binaphthalene]-1,4-dione, 7,7'-diacetyl-1',8,8'-trihydroxy-6,6'-dimethyl-
CAS Number:
113540-84-4
Molecular Formula:
C26H20O7
Molecular Weight:
444.4328
IUPAC Name:
7-acetyl-2-(7-acetyl-1,8-dihydroxy-6-methylnaphthalen-2-yl)-8-hydroxy-6-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C26H20O7/c1-10-7-14-5-6-15(23(30)21(14)25(32)19(10)12(3)27)16-9-18(29)17-8-11(2)20(13(4)28)26(33)22(17)24(16)31/h5-9,30,32-33H,1-4H3
InChI Key:
CAENAFFQDWSJRV-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=O)c2c1cc(C)c(c2O)C(=O)C)c1ccc2c(c1O)c(O)c(c(c2)C)C(=O)C
Properties
Complexity:
891
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.121g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
444.439g/mol
Monoisotopic Mass:
444.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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