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116114-78-4 | 2-Thiazolidineacetic acid, (R)- (9CI)
CAS No: 116114-78-4 Catalog No: AG000BO8 MDL No:
Product Description
Catalog Number:
AG000BO8
Chemical Name:
2-Thiazolidineacetic acid, (R)- (9CI)
CAS Number:
116114-78-4
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
2-[(2R)-1,3-thiazolidin-2-yl]acetic acid
InChI:
InChI=1S/C5H9NO2S/c7-5(8)3-4-6-1-2-9-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
InChI Key:
OQOCQIBPTYHJAK-SCSAIBSYSA-N
SMILES:
OC(=O)C[C@@H]1NCCS1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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