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475682-51-0 | 1,4-Dioxino[2,3-f]quinoline-2-methanol, 2,3-dihydro-8-methyl-, 2-(4-methylbenzenesulfonate)
CAS No: 475682-51-0 Catalog No: AG00DGD4 MDL No:
Product Description
Catalog Number:
AG00DGD4
Chemical Name:
1,4-Dioxino[2,3-f]quinoline-2-methanol, 2,3-dihydro-8-methyl-, 2-(4-methylbenzenesulfonate)
CAS Number:
475682-51-0
IUPAC Name:
(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C20H19NO5S/c1-13-3-6-16(7-4-13)27(22,23)25-12-15-11-24-19-10-9-18-17(20(19)26-15)8-5-14(2)21-18/h3-10,15H,11-12H2,1-2H3
InChI Key:
MYHBOPKOGIKIFF-UHFFFAOYSA-N
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.098g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.434g/mol
Monoisotopic Mass:
385.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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