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88408-82-6 | Benzene, [(4,4-dimethoxy-2-methylbutyl)sulfonyl]-
CAS No: 88408-82-6 Catalog No: AG004HZQ MDL No:
Product Description
Catalog Number:
AG004HZQ
Chemical Name:
Benzene, [(4,4-dimethoxy-2-methylbutyl)sulfonyl]-
CAS Number:
88408-82-6
Molecular Formula:
C13H20O4S
Molecular Weight:
272.3605
IUPAC Name:
(4,4-dimethoxy-2-methylbutyl)sulfonylbenzene
InChI:
InChI=1S/C13H20O4S/c1-11(9-13(16-2)17-3)10-18(14,15)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChI Key:
MQVSXYZVUCLKMA-UHFFFAOYSA-N
SMILES:
COC(CC(CS(=O)(=O)c1ccccc1)C)OC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.359g/mol
Monoisotopic Mass:
272.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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