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133128-15-1 | Benzene, (1-decyn-1-ylsulfonyl)-
CAS No: 133128-15-1 Catalog No: AG0014B8 MDL No:
Product Description
Catalog Number:
AG0014B8
Chemical Name:
Benzene, (1-decyn-1-ylsulfonyl)-
CAS Number:
133128-15-1
Molecular Formula:
C16H22O2S
Molecular Weight:
278.4097
IUPAC Name:
dec-1-ynylsulfonylbenzene
InChI:
InChI=1S/C16H22O2S/c1-2-3-4-5-6-7-8-12-15-19(17,18)16-13-10-9-11-14-16/h9-11,13-14H,2-8H2,1H3
InChI Key:
UVCJYPGXZAOBGE-UHFFFAOYSA-N
SMILES:
CCCCCCCCC#CS(=O)(=O)c1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.41g/mol
Monoisotopic Mass:
278.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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