| CAS Number | 936249-32-0 |
| Catalog Number | AG00IHPM(AGN-PC-0WO5LQ) |
| Chemical Name | 1-(2-methoxyethyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C7H10N2O3/c1-12-5-4-9-3-2-6(8-9)7(10)11/h2-3H,4-5H2,1H3,(H,10,11) |
| InChI Key | TZXBGMDXAVJZAQ-UHFFFAOYSA-N |
| MDL Number | MFCD09965784 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | COCCn1ccc(n1)C(=O)O |
| Synonyms | 1-(2-METHOXYETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID,
936249-32-0,
1H-Pyrazole-3-carboxylic acid, 1-(2-methoxyethyl)-,
SCHEMBL2417924,
TZXBGMDXAVJZAQ-UHFFFAOYSA-N,
MFCD09965784,
ZINC11920512,
AKOS013773465,
MCULE-7771002658,
NE21530,
AM806245,
SC-51535,
CS-0047142,
F2169-0594,
Z1778350388,
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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 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number