Home Carboxys ethyl 1-ethyl-5-hydroxy-1H-pyrazole-4-carboxylate

ethyl 1-ethyl-5-hydroxy-1H-pyrazole-4-carboxylate

CAS No.:
1546671-56-0
Catalog Number:
AG01ACTF
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
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Product Description
Catalog Number:
AG01ACTF
Chemical Name:
ethyl 1-ethyl-5-hydroxy-1H-pyrazole-4-carboxylate
CAS Number:
1546671-56-0
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD24344287
IUPAC Name:
ethyl 2-ethyl-3-oxo-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C8H12N2O3/c1-3-10-7(11)6(5-9-10)8(12)13-4-2/h5,9H,3-4H2,1-2H3
InChI Key:
LXBKCBYUKMCFQF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1O)CC
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties