Home Carboxys ethyl 4-[(hydroxyimino)methyl]-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 4-[(hydroxyimino)methyl]-1-phenyl-1H-pyrazole-3-carboxylate

CAS No.:
1173625-38-1
Catalog Number:
AG019VAA
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019VAA
Chemical Name:
ethyl 4-[(hydroxyimino)methyl]-1-phenyl-1H-pyrazole-3-carboxylate
CAS Number:
1173625-38-1
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD12197095
IUPAC Name:
ethyl 4-(hydroxyiminomethyl)-1-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H13N3O3/c1-2-19-13(17)12-10(8-14-18)9-16(15-12)11-6-4-3-5-7-11/h3-9,18H,2H2,1H3
InChI Key:
DRGVSDRFDDWPSJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(cc1C=NO)c1ccccc1
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.2  
Properties