3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid - CAS 1788527-71-8
Catalog: |
BB052403 |
Product Name: |
3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
CAS: |
1788527-71-8 |
Synonyms: |
3-amino-1-ethyl-1H-pyrazole-4-carboxylicacid |
IUPAC Name: | 3-amino-1-ethylpyrazole-4-carboxylic acid |
Molecular Weight: | 155.15 |
Molecular Formula: | C6H9N3O2 |
Canonical SMILES: | CCN1C=C(C(=N1)N)C(=O)O |
InChI: | InChI=1S/C6H9N3O2/c1-2-9-3-4(6(10)11)5(7)8-9/h3H,2H2,1H3,(H2,7,8)(H,10,11) |
InChI Key: | XTTDXUPQGKOTSF-UHFFFAOYSA-N |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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