Home Aminos Propanoic acid, 3-oxo-3-(2-thiazolylamino)-

Propanoic acid, 3-oxo-3-(2-thiazolylamino)-

CAS No.:
78096-15-8
Catalog Number:
AG0055DE
Molecular Formula:
C6H6N2O3S
Molecular Weight:
186.1884
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Product Description
Catalog Number:
AG0055DE
Chemical Name:
Propanoic acid, 3-oxo-3-(2-thiazolylamino)-
CAS Number:
78096-15-8
Molecular Formula:
C6H6N2O3S
Molecular Weight:
186.1884
MDL Number:
MFCD11099580
IUPAC Name:
3-oxo-3-(1,3-thiazol-2-ylamino)propanoic acid
InChI:
InChI=1S/C6H6N2O3S/c9-4(3-5(10)11)8-6-7-1-2-12-6/h1-2H,3H2,(H,10,11)(H,7,8,9)
InChI Key:
BCETWEVGXCGUAQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccs1)CC(=O)O
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.185g/mol
Monoisotopic Mass:
186.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties