| CAS Number | 936249-31-9 |
| Catalog Number | AG00IHPL(AGN-PC-0WBBVL) |
| Chemical Name | 1-(2-Methoxyethyl)-1H-Pyrazole-5-Carboxylic Acid |
| IUPAC Name | 2-(2-methoxyethyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C7H10N2O3/c1-12-5-4-9-6(7(10)11)2-3-8-9/h2-3H,4-5H2,1H3,(H,10,11) |
| InChI Key | NSBGYSNAQPJLCA-UHFFFAOYSA-N |
| MDL Number | MFCD09701570 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | COCCN1N=CC=C1C(=O)O |
| Synonyms | 1-(2-methoxyethyl)-1H-pyrazole-5-carboxylic acid,
936249-31-9,
1-(2-methoxyethyl)pyrazole-5-carboxylic acid,
SCHEMBL2409838,
NSBGYSNAQPJLCA-UHFFFAOYSA-N,
MFCD09701570,
SBB024995,
STK351939,
ZINC12396427,
AKOS005168046,
MCULE-3168308869,
NE50245,
CS-0035778,
ST45134245,
2-(2-methoxyethyl)pyrazole-3-carboxylic acid,
EN300-92664,
Z1768160535,
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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