Home Carboxys 1-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxylic acid

1-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1247644-96-7
Catalog Number:
AG01A4XW
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
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Product Description
Catalog Number:
AG01A4XW
Chemical Name:
1-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1247644-96-7
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD16065431
IUPAC Name:
1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H5N3O2S/c11-6(12)5-3-9-10(4-5)7-8-1-2-13-7/h1-4H,(H,11,12)
InChI Key:
PAGGVGIISKTUBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1nccs1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.196g/mol
Monoisotopic Mass:
195.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties