Home Carboxys methyl 4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate

methyl 4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate

CAS No.:
118995-01-0
Catalog Number:
AG01BTOV
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
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Product Description
Catalog Number:
AG01BTOV
Chemical Name:
methyl 4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
CAS Number:
118995-01-0
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD06254063
IUPAC Name:
methyl 4-hydroxy-1-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C11H10N2O3/c1-16-11(15)10-9(14)7-13(12-10)8-5-3-2-4-6-8/h2-7,14H,1H3
InChI Key:
WTCMVJNUGSOACI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(cc1O)c1ccccc1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties