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88423-62-5 | 4-Thiazolidineacetic acid, 2,2-dimethyl-5-pentyl-, ethyl ester, trans-
CAS No: 88423-62-5 Catalog No: AG004KFY MDL No:
Product Description
Catalog Number:
AG004KFY
Chemical Name:
4-Thiazolidineacetic acid, 2,2-dimethyl-5-pentyl-, ethyl ester, trans-
CAS Number:
88423-62-5
Molecular Formula:
C14H27NO2S
Molecular Weight:
273.4347
IUPAC Name:
ethyl 2-(2,2-dimethyl-5-pentyl-1,3-thiazolidin-4-yl)acetate
InChI:
InChI=1S/C14H27NO2S/c1-5-7-8-9-12-11(10-13(16)17-6-2)15-14(3,4)18-12/h11-12,15H,5-10H2,1-4H3
InChI Key:
VSUXYYUQFVRWPC-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1SC(N[C@H]1CC(=O)OCC)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.176g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.435g/mol
Monoisotopic Mass:
273.176g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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