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28691-72-7 | Benzene, [(1E)-1-propen-1-ylsulfonyl]-
CAS No: 28691-72-7 Catalog No: AG002W42 MDL No:
Product Description
Catalog Number:
AG002W42
Chemical Name:
Benzene, [(1E)-1-propen-1-ylsulfonyl]-
CAS Number:
28691-72-7
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
IUPAC Name:
[(E)-prop-1-enyl]sulfonylbenzene
InChI:
InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-8H,1H3/b8-2+
InChI Key:
BWSNBXGFQGTUOK-KRXBUXKQSA-N
SMILES:
C/C=C/S(=O)(=O)c1ccccc1
NSC Number:
135459
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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