| CAS Number | 1155064-14-4 |
| Catalog Number | AG01B6JO |
| Chemical Name | 1-(2-ethoxyethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-ethoxyethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C8H12N2O3/c1-2-13-4-3-10-6-7(5-9-10)8(11)12/h5-6H,2-4H2,1H3,(H,11,12) |
| InChI Key | ZLJYIFMQJACKSN-UHFFFAOYSA-N |
| MDL Number | MFCD12139600 |
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.1925 |
| SMILES | CCOCCN1N=CC(C(O)=O)=C1 |
| Synonyms | 1-(2-ethoxyethyl)-1H-pyrazole-4-carboxylic acid,
1155064-14-4,
ZINC36777881,
AKOS009587127,
F2147-3684,
Z2692095626,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.195g/mol |
| Monoisotopic Mass | 184.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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