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ACEQUINOCYL-HYDROXY

CAS No.:
57960-31-3
Catalog Number:
AG00EANK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EANK
Chemical Name:
ACEQUINOCYL-HYDROXY
CAS Number:
57960-31-3
MDL Number:
MFCD03427345
IUPAC Name:
3-dodecyl-4-hydroxynaphthalene-1,2-dione
InChI:
InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-19-20(23)17-14-12-13-15-18(17)21(24)22(19)25/h12-15,23H,2-11,16H2,1H3
InChI Key:
ACDHBFFJCFHSMB-UHFFFAOYSA-N
UNII:
DWA2JG4TUB
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.219g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
342.479g/mol
Monoisotopic Mass:
342.219g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  
Literature
Title Journal
Determination of acequinocyl and hydroxyacequinocyl on fruits and vegetables by HPLC-DAD. Journal of agricultural and food chemistry 20041103
Properties