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160306-22-9 | 2,4-Pentadienoic acid, 5-(diethylamino)-2-(phenylsulfonyl)-, ethyl ester
CAS No: 160306-22-9 Catalog No: AG001RU0 MDL No:
Product Description
Catalog Number:
AG001RU0
Chemical Name:
2,4-Pentadienoic acid, 5-(diethylamino)-2-(phenylsulfonyl)-, ethyl ester
CAS Number:
160306-22-9
Molecular Formula:
C17H23NO4S
Molecular Weight:
337.4338
IUPAC Name:
ethyl 2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoate
InChI:
InChI=1S/C17H23NO4S/c1-4-18(5-2)14-10-13-16(17(19)22-6-3)23(20,21)15-11-8-7-9-12-15/h7-14H,4-6H2,1-3H3
InChI Key:
WWFPHONPCQANDG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC=CN(CC)CC)S(=O)(=O)c1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.434g/mol
Monoisotopic Mass:
337.135g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Ethyl (2E,4Z)-5-diethyl-amino-2-(phenyl-sulfon-yl)penta-2,4-dienoate. | Acta crystallographica. Section E, Structure reports online 20120601 |
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