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88218-88-6 | Benzene, [2,2-dimethoxy-1-(propylthio)ethyl]-
CAS No: 88218-88-6 Catalog No: AG004DFH MDL No:
Product Description
Catalog Number:
AG004DFH
Chemical Name:
Benzene, [2,2-dimethoxy-1-(propylthio)ethyl]-
CAS Number:
88218-88-6
Molecular Formula:
C13H20O2S
Molecular Weight:
240.3617
IUPAC Name:
(2,2-dimethoxy-1-propylsulfanylethyl)benzene
InChI:
InChI=1S/C13H20O2S/c1-4-10-16-12(13(14-2)15-3)11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3
InChI Key:
BWQHCQDSWPDSKZ-UHFFFAOYSA-N
SMILES:
CCCSC(c1ccccc1)C(OC)OC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.361g/mol
Monoisotopic Mass:
240.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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