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125471-00-3 | 2,3-Thiazolidinedicarboxylic acid, 3-(1,1-dimethylethyl) ester, (2R)-
CAS No: 125471-00-3 Catalog No: AG000NPS MDL No:MFCD02682344
Product Description
Catalog Number:
AG000NPS
Chemical Name:
2,3-Thiazolidinedicarboxylic acid, 3-(1,1-dimethylethyl) ester, (2R)-
CAS Number:
125471-00-3
Molecular Formula:
C9H14NO4S-
Molecular Weight:
232.2768
MDL Number:
MFCD02682344
IUPAC Name:
(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-2-carboxylic acid
InChI:
InChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-4-5-15-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChI Key:
HYAXPNDMEODKHI-ZCFIWIBFSA-N
SMILES:
O=C(N1CCS[C@@H]1C(=O)[O-])OC(C)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.282g/mol
Monoisotopic Mass:
233.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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