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140171-96-6 | 2-Propenoic acid, 3-(phenylthio)-3-(tributylstannyl)-, methyl ester, (2Z)-
CAS No: 140171-96-6 Catalog No: AG001C4G MDL No:
Product Description
Catalog Number:
AG001C4G
Chemical Name:
2-Propenoic acid, 3-(phenylthio)-3-(tributylstannyl)-, methyl ester, (2Z)-
CAS Number:
140171-96-6
Molecular Formula:
C22H36O2SSn
Molecular Weight:
483.2860
IUPAC Name:
methyl 3-phenylsulfanyl-3-tributylstannylprop-2-enoate
InChI:
InChI=1S/C10H9O2S.3C4H9.Sn/c1-12-10(11)7-8-13-9-5-3-2-4-6-9;3*1-3-4-2;/h2-7H,1H3;3*1,3-4H2,2H3;
InChI Key:
RHOZGSOMBAEJDR-UHFFFAOYSA-N
SMILES:
CCCC[Sn](/C(=C\C(=O)OC)/Sc1ccccc1)(CCCC)CCCC
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.146g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.298g/mol
Monoisotopic Mass:
484.146g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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