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89475-31-0 | [2,2'-Binaphthalene]-5,5',8,8'-tetrone, 1,1'-dihydroxy-3,3'-dimethyl-
CAS No: 89475-31-0 Catalog No: AG0041VU MDL No:
Product Description
Catalog Number:
AG0041VU
Chemical Name:
[2,2'-Binaphthalene]-5,5',8,8'-tetrone, 1,1'-dihydroxy-3,3'-dimethyl-
CAS Number:
89475-31-0
Molecular Formula:
C22H14O6
Molecular Weight:
374.3430
IUPAC Name:
5-hydroxy-6-(1-hydroxy-3-methyl-5,8-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C22H14O6/c1-9-7-11-13(23)3-5-15(25)19(11)21(27)17(9)18-10(2)8-12-14(24)4-6-16(26)20(12)22(18)28/h3-8,27-28H,1-2H3
InChI Key:
QDVJRNZWUXGTFV-UHFFFAOYSA-N
SMILES:
Cc1cc2C(=O)C=CC(=O)c2c(c1c1c(C)cc2c(c1O)C(=O)C=CC2=O)O
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.079g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.348g/mol
Monoisotopic Mass:
374.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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