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119517-21-4 | 1H-Pyrazole-3-carboxylic acid, 1,5-bis(4-methoxyphenyl)-, ethyl ester
CAS No: 119517-21-4 Catalog No: AG000IWW MDL No:
Product Description
Catalog Number:
AG000IWW
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1,5-bis(4-methoxyphenyl)-, ethyl ester
CAS Number:
119517-21-4
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
ethyl 1,5-bis(4-methoxyphenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C20H20N2O4/c1-4-26-20(23)18-13-19(14-5-9-16(24-2)10-6-14)22(21-18)15-7-11-17(25-3)12-8-15/h5-13H,4H2,1-3H3
InChI Key:
AIOKIAZWWNBJMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(n(n1)c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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