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98835-90-6 | Octyl 5-(Diethylamino)-2-(phenylsulfonyl)-2,4-pentadienoate
CAS No: 98835-90-6 Catalog No: AG01FLJP MDL No:
Product Description
Catalog Number:
AG01FLJP
Chemical Name:
Octyl 5-(Diethylamino)-2-(phenylsulfonyl)-2,4-pentadienoate
CAS Number:
98835-90-6
IUPAC Name:
octyl (2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoate
InChI:
InChI=1S/C23H35NO4S/c1-4-7-8-9-10-14-20-28-23(25)22(18-15-19-24(5-2)6-3)29(26,27)21-16-12-11-13-17-21/h11-13,15-19H,4-10,14,20H2,1-3H3/b19-15+,22-18-
InChI Key:
LBNUXTQQOXBRAR-QTAZYSQYSA-N
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
421.229g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.596g/mol
Monoisotopic Mass:
421.229g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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