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88088-08-8 | 3-Pentenoic acid, 2,2-diethyl-4-(phenylthio)-, butyl ester, (E)-
CAS No: 88088-08-8 Catalog No: AG004EQJ MDL No:
Product Description
Catalog Number:
AG004EQJ
Chemical Name:
3-Pentenoic acid, 2,2-diethyl-4-(phenylthio)-, butyl ester, (E)-
CAS Number:
88088-08-8
Molecular Formula:
C19H28O2S
Molecular Weight:
320.4894
IUPAC Name:
butyl 2,2-diethyl-4-phenylsulfanylpent-3-enoate
InChI:
InChI=1S/C19H28O2S/c1-5-8-14-21-18(20)19(6-2,7-3)15-16(4)22-17-12-10-9-11-13-17/h9-13,15H,5-8,14H2,1-4H3
InChI Key:
CCSJOXHIDYHLHC-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(/C=C(/Sc1ccccc1)\C)(CC)CC
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.181g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.491g/mol
Monoisotopic Mass:
320.181g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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