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88840-45-3 | [8,8'-Biquinoline]-5,5'(1H,1'H)-dione, 6,6'-dimethoxy-2,2'-dimethyl-
CAS No: 88840-45-3 Catalog No: AG004AIW MDL No:
Product Description
Catalog Number:
AG004AIW
Chemical Name:
[8,8'-Biquinoline]-5,5'(1H,1'H)-dione, 6,6'-dimethoxy-2,2'-dimethyl-
CAS Number:
88840-45-3
Molecular Formula:
C22H20N2O4
Molecular Weight:
376.4052
IUPAC Name:
8-(5-hydroxy-6-methoxy-2-methylquinolin-8-yl)-6-methoxy-2-methylquinolin-5-ol
InChI:
InChI=1S/C22H20N2O4/c1-11-5-7-13-19(23-11)15(9-17(27-3)21(13)25)16-10-18(28-4)22(26)14-8-6-12(2)24-20(14)16/h5-10,25-26H,1-4H3
InChI Key:
QVPJQNRVPWVADN-UHFFFAOYSA-N
SMILES:
COc1cc(c2cc(OC)c(=O)c3c2[nH]c(C)cc3)c2c(c1=O)ccc([nH]2)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.142g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.412g/mol
Monoisotopic Mass:
376.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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