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88101-62-6 | 1,3-Dithiolane-4-methanol, 2-nonyl-, cis-
CAS No: 88101-62-6 Catalog No: AG004J1J MDL No:
Product Description
Catalog Number:
AG004J1J
Chemical Name:
1,3-Dithiolane-4-methanol, 2-nonyl-, cis-
CAS Number:
88101-62-6
Molecular Formula:
C13H26OS2
Molecular Weight:
262.4749
IUPAC Name:
[(2R,4S)-2-nonyl-1,3-dithiolan-4-yl]methanol
InChI:
InChI=1S/C13H26OS2/c1-2-3-4-5-6-7-8-9-13-15-11-12(10-14)16-13/h12-14H,2-11H2,1H3/t12-,13+/m0/s1
InChI Key:
ZLOVHPNJWVTMQX-QWHCGFSZSA-N
SMILES:
CCCCCCCCC[C@@H]1SC[C@@H](S1)CO
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.47g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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