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53193-62-7 | n-heptadecylmercapto-6-hydroxy-5,8-quinolinequinone
CAS No: 53193-62-7 Catalog No: AG00E2Y3 MDL No:
Product Description
Catalog Number:
AG00E2Y3
Chemical Name:
n-heptadecylmercapto-6-hydroxy-5,8-quinolinequinone
CAS Number:
53193-62-7
IUPAC Name:
7-heptadecylsulfanyl-8-hydroxyquinoline-5,6-dione
InChI:
InChI=1S/C26H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26-24(29)22-21(18-17-19-27-22)23(28)25(26)30/h17-19,29H,2-16,20H2,1H3
InChI Key:
GTMVFAPWRQCGFQ-UHFFFAOYSA-N
UNII:
C19TNQ5RK8
NSC Number:
267720
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.265g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.662g/mol
Monoisotopic Mass:
445.265g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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