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2781-10-4 | Hexanoic acid, 2-ethyl-, 1,1'-(dibutylstannylene) ester
CAS No: 2781-10-4 Catalog No: AG002UTO MDL No:MFCD00015261
Product Description
Catalog Number:
AG002UTO
Chemical Name:
Hexanoic acid, 2-ethyl-, 1,1'-(dibutylstannylene) ester
CAS Number:
2781-10-4
Molecular Formula:
C24H48O4Sn
Molecular Weight:
519.3365
MDL Number:
MFCD00015261
IUPAC Name:
[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
InChI:
InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChI Key:
GPDWNEFHGANACG-UHFFFAOYSA-L
SMILES:
CCCC[Sn](OC(=O)C(CCCC)CC)(OC(=O)C(CCCC)CC)CCCC
EC Number:
220-481-2
NSC Number:
73733
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.257g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
519.354g/mol
Monoisotopic Mass:
520.257g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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