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88462-53-7 | 9,11-Dodecadienoic acid, 12-(pentylthio)-, methyl ester, (E,Z)-
CAS No: 88462-53-7 Catalog No: AG004BW5 MDL No:
Product Description
Catalog Number:
AG004BW5
Chemical Name:
9,11-Dodecadienoic acid, 12-(pentylthio)-, methyl ester, (E,Z)-
CAS Number:
88462-53-7
Molecular Formula:
C18H32O2S
Molecular Weight:
312.5105
IUPAC Name:
methyl 12-pentylsulfanyldodeca-9,11-dienoate
InChI:
InChI=1S/C18H32O2S/c1-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20-2/h9,11,14,17H,3-8,10,12-13,15-16H2,1-2H3
InChI Key:
YTDQDXMCBAAKTG-UHFFFAOYSA-N
SMILES:
CCCCCS/C=C\C=C\CCCCCCCC(=O)OC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.212g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.512g/mol
Monoisotopic Mass:
312.212g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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