Home Carboxys 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxylic acid

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxylic acid

CAS No.:
1155064-95-1
Catalog Number:
AG01A72E
Molecular Formula:
C8H8N4O3
Molecular Weight:
208.1741
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Product Description
Catalog Number:
AG01A72E
Chemical Name:
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxylic acid
CAS Number:
1155064-95-1
Molecular Formula:
C8H8N4O3
Molecular Weight:
208.1741
MDL Number:
MFCD12139620
IUPAC Name:
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H8N4O3/c1-5-10-7(15-11-5)4-12-3-6(2-9-12)8(13)14/h2-3H,4H2,1H3,(H,13,14)
InChI Key:
RUWBQGPANCGRDD-UHFFFAOYSA-N
SMILES:
Cc1nc(on1)Cn1cc(cn1)C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.06g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.177g/mol
Monoisotopic Mass:
208.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties