Home Carboxys 5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid

5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid

CAS No.:
864437-41-2
Catalog Number:
AG01BAYE
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
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Product Description
Catalog Number:
AG01BAYE
Chemical Name:
5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid
CAS Number:
864437-41-2
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD20645494
IUPAC Name:
5-propan-2-yl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C7H9NO2S/c1-4(2)6-5(7(9)10)8-3-11-6/h3-4H,1-2H3,(H,9,10)
InChI Key:
GWPNKBDXQBLJKJ-UHFFFAOYSA-N
SMILES:
CC(c1scnc1C(=O)O)C
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties