| CAS Number | 1339121-92-4 |
| Catalog Number | AG00HT38(AGN-PC-0WNR3Y) |
| Chemical Name | 3-Ethoxypyrazine-2-carboxylic acid |
| IUPAC Name | 3-ethoxypyrazine-2-carboxylic acid |
| InChI | InChI=1S/C7H8N2O3/c1-2-12-6-5(7(10)11)8-3-4-9-6/h3-4H,2H2,1H3,(H,10,11) |
| InChI Key | NKLLDNPMUSPAHX-UHFFFAOYSA-N |
| MDL Number | MFCD16852854 |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.1500 |
| SMILES | CCOC1=C(N=CC=N1)C(O)=O |
| Synonyms | 3-ethoxypyrazine-2-carboxylic acid,
1339121-92-4,
SCHEMBL991266,
ZINC54552782,
AKOS011996633,
KS-9294,
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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 | 168.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.152g/mol |
| Monoisotopic Mass | 168.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.3A^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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