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166516-86-5 | 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
CAS No: 166516-86-5 Catalog No: AG001WS6 MDL No:
Product Description
Catalog Number:
AG001WS6
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
CAS Number:
166516-86-5
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
IUPAC Name:
methyl 2-tert-butyl-1,3-thiazolidine-4-carboxylate
InChI:
InChI=1S/C9H17NO2S/c1-9(2,3)8-10-6(5-13-8)7(11)12-4/h6,8,10H,5H2,1-4H3
InChI Key:
UHABWJACUPYRDB-UHFFFAOYSA-N
SMILES:
COC(=O)C1CSC(N1)C(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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