| CAS Number | 874196-94-8 |
| Catalog Number | AG01BH61(AGN-PC-06NU66) |
| Chemical Name | 1-(2-methoxyethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C7H10N2O3/c1-12-3-2-9-5-6(4-8-9)7(10)11/h4-5H,2-3H2,1H3,(H,10,11) |
| InChI Key | BMUGOSJLZCHJKW-UHFFFAOYSA-N |
| MDL Number | MFCD09965733 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | COCCN1N=CC(=C1)C(=O)O |
| Synonyms | 1-(2-Methoxyethyl)-1H-pyrazole-4-carboxylic acid,
874196-94-8,
1H-Pyrazole-4-carboxylic acid, 1-(2-methoxyethyl)-,
SCHEMBL2828291,
ZX-RL005312,
ZINC11920457,
AKOS009587433,
KS-6921,
BBV-25192715,
OR306151,
F2169-0531,
Z2680886874,
|
| 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 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number