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66975-47-1 | 1,2-Ethenediol, 1,2-bis(4-methoxy-2-quinolinyl)-, (E)-
CAS No: 66975-47-1 Catalog No: AG006MZV MDL No:
Product Description
Catalog Number:
AG006MZV
Chemical Name:
1,2-Ethenediol, 1,2-bis(4-methoxy-2-quinolinyl)-, (E)-
CAS Number:
66975-47-1
Molecular Formula:
C22H18N2O4
Molecular Weight:
374.3893
IUPAC Name:
1,2-bis(4-methoxyquinolin-2-yl)ethene-1,2-diol
InChI:
InChI=1S/C22H18N2O4/c1-27-19-11-17(23-15-9-5-3-7-13(15)19)21(25)22(26)18-12-20(28-2)14-8-4-6-10-16(14)24-18/h3-12,25-26H,1-2H3
InChI Key:
JFDHZBFDIQNCGF-UHFFFAOYSA-N
SMILES:
COc1cc(nc2c1cccc2)/C(=C(/c1cc(OC)c2c(n1)cccc2)\O)/O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.127g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.396g/mol
Monoisotopic Mass:
374.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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