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88087-86-9 | 2-Pentenoic acid, 4-(phenylthio)-, butyl ester, (E)-
CAS No: 88087-86-9 Catalog No: AG004EQQ MDL No:
Product Description
Catalog Number:
AG004EQQ
Chemical Name:
2-Pentenoic acid, 4-(phenylthio)-, butyl ester, (E)-
CAS Number:
88087-86-9
Molecular Formula:
C15H20O2S
Molecular Weight:
264.3831
IUPAC Name:
butyl 4-phenylsulfanylpent-2-enoate
InChI:
InChI=1S/C15H20O2S/c1-3-4-12-17-15(16)11-10-13(2)18-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3
InChI Key:
ZLJCXANLAMTQMM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)/C=C/C(Sc1ccccc1)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.383g/mol
Monoisotopic Mass:
264.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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