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148312-55-4 | 3-Thiazolidinecarboxylic acid, 1,1-dimethylethyl ester
CAS No: 148312-55-4 Catalog No: AG001FLE MDL No:MFCD22581582
Product Description
Catalog Number:
AG001FLE
Chemical Name:
3-Thiazolidinecarboxylic acid, 1,1-dimethylethyl ester
CAS Number:
148312-55-4
Molecular Formula:
C8H15NO2S
Molecular Weight:
189.2752
MDL Number:
MFCD22581582
IUPAC Name:
tert-butyl 1,3-thiazolidine-3-carboxylate
InChI:
InChI=1S/C8H15NO2S/c1-8(2,3)11-7(10)9-4-5-12-6-9/h4-6H2,1-3H3
InChI Key:
XMOPVCIMGZUNNI-UHFFFAOYSA-N
SMILES:
O=C(N1CSCC1)OC(C)(C)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.273g/mol
Monoisotopic Mass:
189.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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