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89017-40-3 | Sulfonium, [2-(3,4-dihydroxyphenyl)-1-methylethyl]dimethyl-, iodide
CAS No: 89017-40-3 Catalog No: AG0042UA MDL No:
Product Description
Catalog Number:
AG0042UA
Chemical Name:
Sulfonium, [2-(3,4-dihydroxyphenyl)-1-methylethyl]dimethyl-, iodide
CAS Number:
89017-40-3
Molecular Formula:
C11H17IO2S
Molecular Weight:
340.2209
IUPAC Name:
1-(3,4-dihydroxyphenyl)propan-2-yl-dimethylsulfanium;iodide
InChI:
InChI=1S/C11H16O2S.HI/c1-8(14(2)3)6-9-4-5-10(12)11(13)7-9;/h4-5,7-8H,6H2,1-3H3,(H-,12,13);1H
InChI Key:
OMIFMTQXBGKUSD-UHFFFAOYSA-N
SMILES:
C[S+](C(Cc1ccc(c(c1)O)O)C)C.[I-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.219g/mol
Monoisotopic Mass:
339.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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