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81582-87-8 | Benzene, [(3-methyl-3-butenyl)sulfonyl]-
CAS No: 81582-87-8 Catalog No: AG0058EJ MDL No:
Product Description
Catalog Number:
AG0058EJ
Chemical Name:
Benzene, [(3-methyl-3-butenyl)sulfonyl]-
CAS Number:
81582-87-8
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
3-methylbut-3-enylsulfonylbenzene
InChI:
InChI=1S/C11H14O2S/c1-10(2)8-9-14(12,13)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChI Key:
CTZQDUUYXACBEL-UHFFFAOYSA-N
SMILES:
CC(=C)CCS(=O)(=O)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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