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116278-76-3 | 2-Propen-1-one, 1-cyclopentyl-2-methyl-3-(tributylstannyl)-, (E)- (9CI)
CAS No: 116278-76-3 Catalog No: AG000C49 MDL No:
Product Description
Catalog Number:
AG000C49
Chemical Name:
2-Propen-1-one, 1-cyclopentyl-2-methyl-3-(tributylstannyl)-, (E)- (9CI)
CAS Number:
116278-76-3
Molecular Formula:
C21H40OSn
Molecular Weight:
427.2427
IUPAC Name:
1-cyclopentyl-2-methyl-3-tributylstannylprop-2-en-1-one
InChI:
InChI=1S/C9H13O.3C4H9.Sn/c1-7(2)9(10)8-5-3-4-6-8;3*1-3-4-2;/h1,8H,3-6H2,2H3;3*1,3-4H2,2H3;
InChI Key:
OSXHOEBAHINIAL-UHFFFAOYSA-N
SMILES:
CCCC[Sn](/C=C(/C(=O)C1CCCC1)\C)(CCCC)CCCC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.21g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.26g/mol
Monoisotopic Mass:
428.21g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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