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26175-82-6 | Dodecanoic acid, 2-mercapto-
CAS No: 26175-82-6 Catalog No: AG002S0N MDL No:
Product Description
Catalog Number:
AG002S0N
Chemical Name:
Dodecanoic acid, 2-mercapto-
CAS Number:
26175-82-6
Molecular Formula:
C12H24O2S
Molecular Weight:
232.3828
IUPAC Name:
2-sulfanyldodecanoic acid
InChI:
InChI=1S/C12H24O2S/c1-2-3-4-5-6-7-8-9-10-11(15)12(13)14/h11,15H,2-10H2,1H3,(H,13,14)
InChI Key:
REFZTFPICLNNPM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(C(=O)O)S
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.15g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.382g/mol
Monoisotopic Mass:
232.15g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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