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88576-29-8 | Benzene, 1-(2-butenylsulfonyl)-4-(1,1-dimethylethyl)-
CAS No: 88576-29-8 Catalog No: AG004DLS MDL No:
Product Description
Catalog Number:
AG004DLS
Chemical Name:
Benzene, 1-(2-butenylsulfonyl)-4-(1,1-dimethylethyl)-
CAS Number:
88576-29-8
Molecular Formula:
C14H20O2S
Molecular Weight:
252.3724
IUPAC Name:
1-but-2-enylsulfonyl-4-tert-butylbenzene
InChI:
InChI=1S/C14H20O2S/c1-5-6-11-17(15,16)13-9-7-12(8-10-13)14(2,3)4/h5-10H,11H2,1-4H3
InChI Key:
DQRMRJRXIRKKCH-UHFFFAOYSA-N
SMILES:
CC=CCS(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.372g/mol
Monoisotopic Mass:
252.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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