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88218-90-0 | Benzene, [2,2-dimethoxy-1-[(2-methylpropyl)thio]ethyl]-
CAS No: 88218-90-0 Catalog No: AG004DFG MDL No:
Product Description
Catalog Number:
AG004DFG
Chemical Name:
Benzene, [2,2-dimethoxy-1-[(2-methylpropyl)thio]ethyl]-
CAS Number:
88218-90-0
Molecular Formula:
C14H22O2S
Molecular Weight:
254.3883
IUPAC Name:
[2,2-dimethoxy-1-(2-methylpropylsulfanyl)ethyl]benzene
InChI:
InChI=1S/C14H22O2S/c1-11(2)10-17-13(14(15-3)16-4)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3
InChI Key:
ZEYJPPUAASKPAN-UHFFFAOYSA-N
SMILES:
COC(C(c1ccccc1)SCC(C)C)OC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.134g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.388g/mol
Monoisotopic Mass:
254.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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