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89556-14-9 | 2-Nonene-4,6-diyne, 8,8-dimethyl-2-(methylthio)-, (Z)-
CAS No: 89556-14-9 Catalog No: AG003ZN3 MDL No:
Product Description
Catalog Number:
AG003ZN3
Chemical Name:
2-Nonene-4,6-diyne, 8,8-dimethyl-2-(methylthio)-, (Z)-
CAS Number:
89556-14-9
Molecular Formula:
C12H16S
Molecular Weight:
192.3204
IUPAC Name:
8,8-dimethyl-2-methylsulfanylnon-2-en-4,6-diyne
InChI:
InChI=1S/C12H16S/c1-11(13-5)9-7-6-8-10-12(2,3)4/h9H,1-5H3
InChI Key:
GSCALQDFLVOPMW-UHFFFAOYSA-N
SMILES:
CS/C(=C\C#CC#CC(C)(C)C)/C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.32g/mol
Monoisotopic Mass:
192.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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