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88133-40-8 | Benzene, [(3,3-diethoxybutyl)sulfonyl]-
CAS No: 88133-40-8 Catalog No: AG004DIL MDL No:
Product Description
Catalog Number:
AG004DIL
Chemical Name:
Benzene, [(3,3-diethoxybutyl)sulfonyl]-
CAS Number:
88133-40-8
Molecular Formula:
C14H22O4S
Molecular Weight:
286.3871
IUPAC Name:
3,3-diethoxybutylsulfonylbenzene
InChI:
InChI=1S/C14H22O4S/c1-4-17-14(3,18-5-2)11-12-19(15,16)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChI Key:
AQGHFNFBQWRBIQ-UHFFFAOYSA-N
SMILES:
CCOC(OCC)(CCS(=O)(=O)c1ccccc1)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.124g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.386g/mol
Monoisotopic Mass:
286.124g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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