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116296-31-2 | Acetic acid, 2-(undecylthio)-
CAS No: 116296-31-2 Catalog No: AG000C4F MDL No:MFCD01098548
Product Description
Catalog Number:
AG000C4F
Chemical Name:
Acetic acid, 2-(undecylthio)-
CAS Number:
116296-31-2
Molecular Formula:
C13H26O2S
Molecular Weight:
246.4093
MDL Number:
MFCD01098548
IUPAC Name:
2-undecylsulfanylacetic acid
InChI:
InChI=1S/C13H26O2S/c1-2-3-4-5-6-7-8-9-10-11-16-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChI Key:
CZSSKBQAJULWPY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCSCC(=O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.165g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.409g/mol
Monoisotopic Mass:
246.165g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Arabidopsis thaliana fatty acid alpha-dioxygenase-1: evaluation of substrates, inhibitors and amino-terminal function. | Plant physiology and biochemistry : PPB 20060101 |
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