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1613-68-9 | Octadecanethioic acid
CAS No: 1613-68-9 Catalog No: AG001SC2 MDL No:
Product Description
Catalog Number:
AG001SC2
Chemical Name:
Octadecanethioic acid
CAS Number:
1613-68-9
Molecular Formula:
C18H36OS
Molecular Weight:
300.5428
IUPAC Name:
octadecanethioic S-acid
InChI:
InChI=1S/C18H36OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChI Key:
WPNKBSRBPMAEPL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=S)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.249g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.545g/mol
Monoisotopic Mass:
300.249g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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