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119154-04-0 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, triphenylstannyl ester
CAS No: 119154-04-0 Catalog No: AG000IA8 MDL No:
Product Description
Catalog Number:
AG000IA8
Chemical Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, triphenylstannyl ester
CAS Number:
119154-04-0
Molecular Formula:
C28H21NO4Sn
Molecular Weight:
554.1716
IUPAC Name:
triphenylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
InChI:
InChI=1S/C10H7NO4.3C6H5.Sn/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15;3*1-2-4-6-5-3-1;/h1-4H,5H2,(H,12,13);3*1-5H;/q;;;;+1/p-1
InChI Key:
XFNSECIDEKUERB-UHFFFAOYSA-M
SMILES:
O=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
555.049g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.189g/mol
Monoisotopic Mass:
555.049g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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