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126068-76-6 | 1H-Pyrazole-3-carboxylic acid, 1-(4-methoxyphenyl)-5-methyl-, ethyl ester
CAS No: 126068-76-6 Catalog No: AG000R2S MDL No:
Product Description
Catalog Number:
AG000R2S
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-(4-methoxyphenyl)-5-methyl-, ethyl ester
CAS Number:
126068-76-6
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C14H16N2O3/c1-4-19-14(17)13-9-10(2)16(15-13)11-5-7-12(18-3)8-6-11/h5-9H,4H2,1-3H3
InChI Key:
WBSVXLMLWIBSQF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)C)c1ccc(cc1)OC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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