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141627-80-7 | 2,4-Thiazolidinedicarboxylic acid, cis- (9CI)
CAS No: 141627-80-7 Catalog No: AG001GPR MDL No:
Product Description
Catalog Number:
AG001GPR
Chemical Name:
2,4-Thiazolidinedicarboxylic acid, cis- (9CI)
CAS Number:
141627-80-7
Molecular Formula:
C5H7NO4S
Molecular Weight:
177.1784
IUPAC Name:
(2S,4S)-1,3-thiazolidine-2,4-dicarboxylic acid
InChI:
InChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+/m1/s1
InChI Key:
DAXBISKSIDBYEU-GBXIJSLDSA-N
SMILES:
OC(=O)[C@@H]1SC[C@@H](N1)C(=O)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
177.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.174g/mol
Monoisotopic Mass:
177.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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