1-(1-Ethoxyethyl)-1H-pyrazole-5-carbaldehyde - CAS 1392274-32-6
Catalog: |
BB052224 |
Product Name: |
1-(1-Ethoxyethyl)-1H-pyrazole-5-carbaldehyde |
CAS: |
1392274-32-6 |
Synonyms: |
1-(1-Ethoxyethyl)-1H-pyrazole-5-carbaldehyde |
IUPAC Name: | 2-(1-ethoxyethyl)pyrazole-3-carbaldehyde |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CCOC(C)N1C(=CC=N1)C=O |
InChI: | InChI=1S/C8H12N2O2/c1-3-12-7(2)10-8(6-11)4-5-9-10/h4-7H,3H2,1-2H3 |
InChI Key: | RGRZSQDKSBLNIT-UHFFFAOYSA-N |
Purity: | 97% |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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