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116371-69-8 | 2,4,6-Cycloheptatrien-1-one, 2-[(tributylstannyl)oxy]-
CAS No: 116371-69-8 Catalog No: AG000CBO MDL No:
Product Description
Catalog Number:
AG000CBO
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-[(tributylstannyl)oxy]-
CAS Number:
116371-69-8
Molecular Formula:
C19H32O2Sn
Molecular Weight:
411.1572
IUPAC Name:
2-tributylstannyloxycyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C7H6O2.3C4H9.Sn/c8-6-4-2-1-3-5-7(6)9;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChI Key:
PGWGSFWVTVBEJD-UHFFFAOYSA-M
SMILES:
CCCC[Sn](Oc1cccccc1=O)(CCCC)CCCC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.173g/mol
Monoisotopic Mass:
412.142g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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