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144879-14-1 | Dodecanoic acid, 12-[(1-methylethyl)thio]-
CAS No: 144879-14-1 Catalog No: AG001K9W MDL No:
Product Description
Catalog Number:
AG001K9W
Chemical Name:
Dodecanoic acid, 12-[(1-methylethyl)thio]-
CAS Number:
144879-14-1
Molecular Formula:
C15H30O2S
Molecular Weight:
274.4625
IUPAC Name:
12-propan-2-ylsulfanyldodecanoic acid
InChI:
InChI=1S/C15H30O2S/c1-14(2)18-13-11-9-7-5-3-4-6-8-10-12-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChI Key:
GFLVLJZNILVZRQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCSC(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.197g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.463g/mol
Monoisotopic Mass:
274.197g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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