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124422-51-1 | 1,3,2-Oxathiastannolane-4-acetic acid, 2,2-dibutyl-5-oxo-
CAS No: 124422-51-1 Catalog No: AG000LZ3 MDL No:
Product Description
Catalog Number:
AG000LZ3
Chemical Name:
1,3,2-Oxathiastannolane-4-acetic acid, 2,2-dibutyl-5-oxo-
CAS Number:
124422-51-1
Molecular Formula:
C12H22O4SSn
Molecular Weight:
381.0667
IUPAC Name:
2-(2,2-dibutyl-5-oxo-1,3,2-oxathiastannolan-4-yl)acetic acid
InChI:
InChI=1S/C4H6O4S.2C4H9.Sn/c5-3(6)1-2(9)4(7)8;2*1-3-4-2;/h2,9H,1H2,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2
InChI Key:
LVYHWZLVISKZHG-UHFFFAOYSA-L
SMILES:
CCCC[Sn]1(CCCC)OC(=O)C(S1)CC(=O)O
NSC Number:
67017
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.074g/mol
Monoisotopic Mass:
382.026g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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