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143886-74-2 | Propanoic acid, 3-(tetradecylsulfinyl)-
CAS No: 143886-74-2 Catalog No: AG001IL1 MDL No:
Product Description
Catalog Number:
AG001IL1
Chemical Name:
Propanoic acid, 3-(tetradecylsulfinyl)-
CAS Number:
143886-74-2
Molecular Formula:
C17H34O3S
Molecular Weight:
318.5151
IUPAC Name:
3-tetradecylsulfinylpropanoic acid
InChI:
InChI=1S/C17H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21(20)16-14-17(18)19/h2-16H2,1H3,(H,18,19)
InChI Key:
OQJBHWXNMJAZMI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCS(=O)CCC(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.223g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.516g/mol
Monoisotopic Mass:
318.223g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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