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85785-78-0 | Benzene, [(3,3-dimethoxybutyl)sulfonyl]-
CAS No: 85785-78-0 Catalog No: AG004RMH MDL No:
Product Description
Catalog Number:
AG004RMH
Chemical Name:
Benzene, [(3,3-dimethoxybutyl)sulfonyl]-
CAS Number:
85785-78-0
Molecular Formula:
C12H18O4S
Molecular Weight:
258.3339
IUPAC Name:
3,3-dimethoxybutylsulfonylbenzene
InChI:
InChI=1S/C12H18O4S/c1-12(15-2,16-3)9-10-17(13,14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChI Key:
JUDGZZJLUWUCHP-UHFFFAOYSA-N
SMILES:
COC(CCS(=O)(=O)c1ccccc1)(OC)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.332g/mol
Monoisotopic Mass:
258.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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