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114896-31-0 | 1-Nonadecanol, 19-mercapto-
CAS No: 114896-31-0 Catalog No: AG000FEC MDL No:
Product Description
Catalog Number:
AG000FEC
Chemical Name:
1-Nonadecanol, 19-mercapto-
CAS Number:
114896-31-0
Molecular Formula:
C19H40OS
Molecular Weight:
316.5853
IUPAC Name:
19-sulfanylnonadecan-1-ol
InChI:
InChI=1S/C19H40OS/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h20-21H,1-19H2
InChI Key:
CPKYVBYBSYKJLX-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCCCCCS
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.28g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.588g/mol
Monoisotopic Mass:
316.28g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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