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131195-53-4 | 1,3-Dithiolane, 2-nonyl-
CAS No: 131195-53-4 Catalog No: AG000VPD MDL No:
Product Description
Catalog Number:
AG000VPD
Chemical Name:
1,3-Dithiolane, 2-nonyl-
CAS Number:
131195-53-4
Molecular Formula:
C12H24S2
Molecular Weight:
232.4490
IUPAC Name:
2-nonyl-1,3-dithiolane
InChI:
InChI=1S/C12H24S2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h12H,2-11H2,1H3
InChI Key:
DYNKHQGIKHTBME-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1SCCS1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.444g/mol
Monoisotopic Mass:
232.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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