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102712-54-9 | 2,4,3-Benzodioxastannepin-1,5-dione, 3,3-dibutylhexahydro-
CAS No: 102712-54-9 Catalog No: AG00086N MDL No:
Product Description
Catalog Number:
AG00086N
Chemical Name:
2,4,3-Benzodioxastannepin-1,5-dione, 3,3-dibutylhexahydro-
CAS Number:
102712-54-9
Molecular Formula:
C16H28O4Sn
Molecular Weight:
403.0921
IUPAC Name:
3,3-dibutyl-5a,6,7,8,9,9a-hexahydrobenzo[e][1,3,2]dioxastannepine-1,5-dione
InChI:
InChI=1S/C8H12O4.2C4H9.Sn/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-3-4-2;/h5-6H,1-4H2,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2
InChI Key:
DAGMTKLZPHJMTC-UHFFFAOYSA-L
SMILES:
CCCC[Sn]1(CCCC)OC(=O)C2C(C(=O)O1)CCCC2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.106g/mol
Monoisotopic Mass:
404.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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