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86004-72-0 | [2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-
CAS No: 86004-72-0 Catalog No: AG004M5S MDL No:
Product Description
Catalog Number:
AG004M5S
Chemical Name:
[2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-
CAS Number:
86004-72-0
Molecular Formula:
C22H18O6
Molecular Weight:
378.3747
IUPAC Name:
3-methyl-2-(1,6,7-trihydroxy-3-methylnaphthalen-2-yl)naphthalene-1,6,7-triol
InChI:
InChI=1S/C22H18O6/c1-9-3-11-5-15(23)17(25)7-13(11)21(27)19(9)20-10(2)4-12-6-16(24)18(26)8-14(12)22(20)28/h3-8,23-28H,1-2H3
InChI Key:
DQEDEOFMIOKXMI-UHFFFAOYSA-N
SMILES:
Cc1cc2cc(O)c(cc2c(c1c1c(C)cc2c(c1O)cc(c(c2)O)O)O)O
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.11g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
378.38g/mol
Monoisotopic Mass:
378.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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