Home Carboxys Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate

Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate

CAS No.:
60178-98-5
Catalog Number:
AG00IANS
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
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Product Description
Catalog Number:
AG00IANS
Chemical Name:
Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate
CAS Number:
60178-98-5
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD16547310
IUPAC Name:
ethyl 4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxylate
InChI:
InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4(2)6(10)9-8-5/h3H2,1-2H3,(H2,8,9,10)
InChI Key:
UZYUEVONCXSOKT-UHFFFAOYSA-N
SMILES:
Cc1c(n[nH]c1O)C(=O)OCC
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties