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127657-29-8 | 3,4-Thiazolidinedicarboxylic acid, 3-ethyl ester
CAS No: 127657-29-8 Catalog No: AG000X9Q MDL No:MFCD04117921
Product Description
Catalog Number:
AG000X9Q
Chemical Name:
3,4-Thiazolidinedicarboxylic acid, 3-ethyl ester
CAS Number:
127657-29-8
Molecular Formula:
C7H10NO4S-
Molecular Weight:
204.2236
MDL Number:
MFCD04117921
IUPAC Name:
3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChI Key:
XBJWOGLKABXFJE-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CSCN1C(=O)OCC
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.228g/mol
Monoisotopic Mass:
205.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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