Ethyl 1-(Hydroxymethyl)-1H-Pyrazole-3-Carboxylate - CAS 1174872-28-6
Catalog: |
BB053043 |
Product Name: |
Ethyl 1-(Hydroxymethyl)-1H-Pyrazole-3-Carboxylate |
CAS: |
1174872-28-6 |
Synonyms: |
ethyl1-(hydroxymethyl)-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 1-(hydroxymethyl)pyrazole-3-carboxylate |
Molecular Weight: | 170.17 |
Molecular Formula: | C7H10N2O3 |
Canonical SMILES: | CCOC(=O)C1=NN(C=C1)CO |
InChI: | InChI=1S/C7H10N2O3/c1-2-12-7(11)6-3-4-9(5-10)8-6/h3-4,10H,2,5H2,1H3 |
InChI Key: | SSARJIQMBWQQBA-UHFFFAOYSA-N |
Boiling Point: | 296.7±20.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.06914219 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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