Home Carboxys 3-(1-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid

3-(1-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid

CAS No.:
957503-54-7
Catalog Number:
AG00JEWP
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
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Product Description
Catalog Number:
AG00JEWP
Chemical Name:
3-(1-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid
CAS Number:
957503-54-7
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
MDL Number:
MFCD06805565
IUPAC Name:
3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C8H9N3O3/c1-11-4-5(3-9-11)6-2-7(8(12)13)14-10-6/h3-4,7H,2H2,1H3,(H,12,13)
InChI Key:
VLRMILATAWJGMK-UHFFFAOYSA-N
SMILES:
OC(=O)C1ON=C(C1)c1cnn(c1)C
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties