1-(2,2-Diethoxyethyl)-1H-pyrazole - CAS 98881-10-8
Catalog: |
BB048489 |
Product Name: |
1-(2,2-Diethoxyethyl)-1H-pyrazole |
CAS: |
98881-10-8 |
Synonyms: |
1,1-diethoxy-2-pyrazolylethane; 1H-pyrazole, 1-(2,2-diethoxyethyl)- |
IUPAC Name: | 1-(2,2-diethoxyethyl)pyrazole |
Description: | 1-(2,2-Diethoxyethyl)-1H-pyrazole (CAS# 98881-10-8 ) is a useful research chemical. |
Molecular Weight: | 184.24 |
Molecular Formula: | C9H16N2O2 |
Canonical SMILES: | CCOC(CN1C=CC=N1)OCC |
InChI: | InChI=1S/C9H16N2O2/c1-3-12-9(13-4-2)8-11-7-5-6-10-11/h5-7,9H,3-4,8H2,1-2H3 |
InChI Key: | WQVJLPKFVPEPQS-UHFFFAOYSA-N |
Boiling Point: | 257.6±30.0 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.121177757 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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