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139257-15-1 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, trimethylstannyl ester
CAS No: 139257-15-1 Catalog No: AG001AKT MDL No:
Product Description
Catalog Number:
AG001AKT
Chemical Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, trimethylstannyl ester
CAS Number:
139257-15-1
Molecular Formula:
C13H15NO4Sn
Molecular Weight:
367.9635
IUPAC Name:
trimethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
InChI:
InChI=1S/C10H7NO4.3CH3.Sn/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15;;;;/h1-4H,5H2,(H,12,13);3*1H3;/q;;;;+1/p-1
InChI Key:
QWLKLIADFYXGPO-UHFFFAOYSA-M
SMILES:
O=C(O[Sn](C)(C)C)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.002g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.976g/mol
Monoisotopic Mass:
369.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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