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88381-84-4 | [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 3,8,8'-trihydroxy-6,6'-dimethyl-
CAS No: 88381-84-4 Catalog No: AG004FRA MDL No:
Product Description
Catalog Number:
AG004FRA
Chemical Name:
[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 3,8,8'-trihydroxy-6,6'-dimethyl-
CAS Number:
88381-84-4
Molecular Formula:
C22H14O7
Molecular Weight:
390.3424
IUPAC Name:
4,5-dihydroxy-3-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,2-dione
InChI:
InChI=1S/C22H14O7/c1-8-3-10-13(23)7-12(19(26)16(10)14(24)5-8)18-21(28)17-11(20(27)22(18)29)4-9(2)6-15(17)25/h3-7,24-25,28H,1-2H3
InChI Key:
PKZQGPXSUYINCF-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(c1)C(=O)C=C(C2=O)C1=C(O)C(=O)c2c(C1=O)c(O)cc(c2)C
Properties
Complexity:
866
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.074g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
390.347g/mol
Monoisotopic Mass:
390.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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