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17734-94-0 | [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 8,8'-dimethoxy-6,6'-dimethyl-
CAS No: 17734-94-0 Catalog No: AG002599 MDL No:
Product Description
Catalog Number:
AG002599
Chemical Name:
[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 8,8'-dimethoxy-6,6'-dimethyl-
CAS Number:
17734-94-0
Molecular Formula:
C24H18O6
Molecular Weight:
402.3961
IUPAC Name:
8-methoxy-2-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C24H18O6/c1-11-5-15-17(25)9-13(23(27)21(15)19(7-11)29-3)14-10-18(26)16-6-12(2)8-20(30-4)22(16)24(14)28/h5-10H,1-4H3
InChI Key:
CZERRJFJVOMTKF-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc2c1C(=O)C(=CC2=O)C1=CC(=O)c2c(C1=O)c(OC)cc(c2)C
Properties
Complexity:
782
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.11g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.402g/mol
Monoisotopic Mass:
402.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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