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139270-96-5 | Hexadecanoic acid, 16-(acetylthio)-
CAS No: 139270-96-5 Catalog No: AG001AN1 MDL No:
Product Description
Catalog Number:
AG001AN1
Chemical Name:
Hexadecanoic acid, 16-(acetylthio)-
CAS Number:
139270-96-5
Molecular Formula:
C18H34O3S
Molecular Weight:
330.5258
IUPAC Name:
16-acetylsulfanylhexadecanoic acid
InChI:
InChI=1S/C18H34O3S/c1-17(19)22-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-18(20)21/h2-16H2,1H3,(H,20,21)
InChI Key:
DXDAPDJLNNNCMU-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCCCCCSC(=O)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.223g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.527g/mol
Monoisotopic Mass:
330.223g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| XAS and XMCD investigation of Mn12 monolayers on gold. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
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