| CAS Number: 40995-41-3 ethyl 5-formyl-1-methyl-1H-pyrazole-4-carboxylate |
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| General Information | ||||||
| Product Number: 40995413
CAS Registry Number: 40995-41-3
Name:
1H-Pyrazole-4-carboxylic acid, 5-formyl-1-methyl-, ethyl ester
Ethyl 5-formyl-1-methyl-1H-pyrazole-4-carboxylate
Chemical Formula: C8H10N2O3
Exact Mass: 182.07
Molecular Weight: 182.18
m/z: 182.07 (100.0%), 183.07 (9.5%)
Elemental Analysis: C, 52.74; H, 5.53; N, 15.38; O, 26.35
InChI: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
InChIKey: PPTYJKAXVCCBDU-UHFFFAOYSA-N
Canonical SMILES : CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013111796 A1 20130801. PCT Int. Appl. (2012), WO 2012099200 A1 20120726. |
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