| CAS Number | 1881322-09-3 |
| Catalog Number | AG00I2FB(AGN-PC-0WR8HA) |
| Chemical Name | Ethyl 2-(4-hydroxy-1H-pyrazol-1-yl)acetate |
| IUPAC Name | ethyl 2-(4-hydroxypyrazol-1-yl)acetate |
| InChI | InChI=1S/C7H10N2O3/c1-2-12-7(11)5-9-4-6(10)3-8-9/h3-4,10H,2,5H2,1H3 |
| InChI Key | WTMDRTKFTFGVPR-UHFFFAOYSA-N |
| MDL Number | MFCD29044459 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | CCOC(=O)Cn1cc(cn1)O |
| Synonyms | ethyl 2-(4-hydroxy-1H-pyrazol-1-yl)acetate,
1881322-09-3,
ZINC259894744,
(4-Hydroxy-pyrazol-1-yl)-acetic acid ethyl ester,
A1-08181,
F2147-7241,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.168g/mol |
| Monoisotopic Mass | 170.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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