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124617-04-5 | 4-Thiazolidinecarboxylic acid, 2-(hydroxymethyl)-, (2S-trans)- (9CI)
CAS No: 124617-04-5 Catalog No: AG000MHG MDL No:
Product Description
Catalog Number:
AG000MHG
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-(hydroxymethyl)-, (2S-trans)- (9CI)
CAS Number:
124617-04-5
Molecular Formula:
C5H9NO3S
Molecular Weight:
163.1949
IUPAC Name:
(2S,4R)-2-(hydroxymethyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C5H9NO3S/c7-1-4-6-3(2-10-4)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
InChI Key:
MYNHZTBPRLMLMR-IMJSIDKUSA-N
SMILES:
OC[C@@H]1SC[C@H](N1)C(=O)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
163.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.191g/mol
Monoisotopic Mass:
163.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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