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126085-91-4 | 3-Isoxazolecarboxylic acid, 5-(tributylstannyl)-, ethyl ester
CAS No: 126085-91-4 Catalog No: AG000RFX MDL No:MFCD07368612
Product Description
Catalog Number:
AG000RFX
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(tributylstannyl)-, ethyl ester
CAS Number:
126085-91-4
Molecular Formula:
C18H33NO3Sn
Molecular Weight:
430.1605
MDL Number:
MFCD07368612
IUPAC Name:
ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;
InChI Key:
LDFBGRFJCWKQCA-UHFFFAOYSA-N
SMILES:
CCCC[Sn](c1onc(c1)C(=O)OCC)(CCCC)CCCC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.176g/mol
Monoisotopic Mass:
431.148g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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