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144163-65-5 | 2-Thiazolepropanoic acid
CAS No: 144163-65-5 Catalog No: AG001J1F MDL No:MFCD02683062
Product Description
Catalog Number:
AG001J1F
Chemical Name:
2-Thiazolepropanoic acid
CAS Number:
144163-65-5
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD02683062
IUPAC Name:
3-(1,3-thiazol-2-yl)propanoic acid
InChI:
InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
InChI Key:
OJTQVDTVCPIZQH-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nccs1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Isoxazolyl, oxazolyl, and thiazolylpropionic acid derivatives as potent alpha(4)beta(1) integrin antagonists. | Bioorganic & medicinal chemistry letters 20011008 |
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