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72274-40-9 | 4-Thiazolidinecarboxylicacid, 5-methyl-, (4R-trans)- (9CI)
CAS No: 72274-40-9 Catalog No: AG005IG1 MDL No:
Product Description
Catalog Number:
AG005IG1
Chemical Name:
4-Thiazolidinecarboxylicacid, 5-methyl-, (4R-trans)- (9CI)
CAS Number:
72274-40-9
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
(4R,5R)-5-methyl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C5H9NO2S/c1-3-4(5(7)8)6-2-9-3/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m1/s1
InChI Key:
UTNNVDJFXMLWDF-DMTCNVIQSA-N
SMILES:
C[C@H]1SCN[C@@H]1C(=O)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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