Home Carboxys ethyl 5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxylate

ethyl 5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxylate

CAS No.:
178114-25-5
Catalog Number:
AG01C3H7
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
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Product Description
Catalog Number:
AG01C3H7
Chemical Name:
ethyl 5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxylate
CAS Number:
178114-25-5
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD29762808
IUPAC Name:
ethyl 3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C12H12N2O3/c1-2-17-12(16)10-7-9(13-14-10)8-5-3-4-6-11(8)15/h3-7,15H,2H2,1H3,(H,13,14)
InChI Key:
APVJKAYWKJUVHI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1)c1ccccc1O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties