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187998-66-9 | 1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-methyl-, ethyl ester
CAS No: 187998-66-9 Catalog No: AG002GML MDL No:MFCD04122756
Product Description
Catalog Number:
AG002GML
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-methyl-, ethyl ester
CAS Number:
187998-66-9
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
MDL Number:
MFCD04122756
IUPAC Name:
ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H16N2O3/c1-4-19-14(17)13-9-15-16(10(13)2)11-5-7-12(18-3)8-6-11/h5-9H,4H2,1-3H3
InChI Key:
APRSCISRACOKII-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C)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:
2.5
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