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23449-98-1 | Propanoic acid, 3-[(3-butoxy-3-oxopropyl)thio]-, octadecyl ester
CAS No: 23449-98-1 Catalog No: AG002N9O MDL No:
Product Description
Catalog Number:
AG002N9O
Chemical Name:
Propanoic acid, 3-[(3-butoxy-3-oxopropyl)thio]-, octadecyl ester
CAS Number:
23449-98-1
Molecular Formula:
C28H54O4S
Molecular Weight:
486.7910
IUPAC Name:
butyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate
InChI:
InChI=1S/C28H54O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32-28(30)22-26-33-25-21-27(29)31-23-6-4-2/h3-26H2,1-2H3
InChI Key:
FJTRJBKNALSVAX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.374g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.796g/mol
Monoisotopic Mass:
486.374g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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