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918407-74-6 | 1H-Pyrazole-3,4-dicarboxylic acid, 5-ethyl-1-phenyl-, 3,4-dimethyl ester
CAS No: 918407-74-6 Catalog No: AG006G0T MDL No:
Product Description
Catalog Number:
AG006G0T
Chemical Name:
1H-Pyrazole-3,4-dicarboxylic acid, 5-ethyl-1-phenyl-, 3,4-dimethyl ester
CAS Number:
918407-74-6
Molecular Formula:
C15H16N2O4
Molecular Weight:
288.2985
IUPAC Name:
dimethyl 5-ethyl-1-phenylpyrazole-3,4-dicarboxylate
InChI:
InChI=1S/C15H16N2O4/c1-4-11-12(14(18)20-2)13(15(19)21-3)16-17(11)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChI Key:
MKWGDPUNVXOTOU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c(c1C(=O)OC)CC)c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.303g/mol
Monoisotopic Mass:
288.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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