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144237-97-8 | 3-Penten-2-one, 4-[[2-oxo-2-[(tributylstannyl)oxy]ethyl]amino]- (9CI)
CAS No: 144237-97-8 Catalog No: AG001J65 MDL No:
Product Description
Catalog Number:
AG001J65
Chemical Name:
3-Penten-2-one, 4-[[2-oxo-2-[(tributylstannyl)oxy]ethyl]amino]- (9CI)
CAS Number:
144237-97-8
Molecular Formula:
C19H37NO3Sn
Molecular Weight:
446.2030
IUPAC Name:
tributylstannyl 2-(4-oxopent-2-en-2-ylamino)acetate
InChI:
InChI=1S/C7H11NO3.3C4H9.Sn/c1-5(3-6(2)9)8-4-7(10)11;3*1-3-4-2;/h3,8H,4H2,1-2H3,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChI Key:
YRVVHXWAZVQANM-UHFFFAOYSA-M
SMILES:
CCCC[Sn](OC(=O)CNC(=CC(=O)C)C)(CCCC)CCCC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.18g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.219g/mol
Monoisotopic Mass:
447.18g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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