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87597-80-6 | 1,3-Propanediol, 2-[(triphenylstannyl)methyl]-
CAS No: 87597-80-6 Catalog No: AG004IK5 MDL No:
Product Description
Catalog Number:
AG004IK5
Chemical Name:
1,3-Propanediol, 2-[(triphenylstannyl)methyl]-
CAS Number:
87597-80-6
Molecular Formula:
C22H24O2Sn
Molecular Weight:
439.1258
IUPAC Name:
2-(triphenylstannylmethyl)propane-1,3-diol
InChI:
InChI=1S/3C6H5.C4H9O2.Sn/c3*1-2-4-6-5-3-1;1-4(2-5)3-6;/h3*1-5H;4-6H,1-3H2;
InChI Key:
JKKYVLCKKVVUOR-UHFFFAOYSA-N
SMILES:
OCC(C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)CO
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.08g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
439.142g/mol
Monoisotopic Mass:
440.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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