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85709-86-0 | Selenonium,[2-(3,4-dimethoxyphenyl)ethyl]dimethyl-, iodide (1:1)
CAS No: 85709-86-0 Catalog No: AG004SGH MDL No:
Product Description
Catalog Number:
AG004SGH
Chemical Name:
Selenonium,[2-(3,4-dimethoxyphenyl)ethyl]dimethyl-, iodide (1:1)
CAS Number:
85709-86-0
Molecular Formula:
C12H19O2Se+
Molecular Weight:
274.2381
IUPAC Name:
2-(3,4-dimethoxyphenyl)ethyl-dimethylselanium
InChI:
InChI=1S/C12H19O2Se/c1-13-11-6-5-10(7-8-15(3)4)9-12(11)14-2/h5-6,9H,7-8H2,1-4H3/q+1
InChI Key:
CUTRUHACWQEVLG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC[Se+](C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.055g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.253g/mol
Monoisotopic Mass:
275.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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