3-Methoxypyrazine-2-carboxylic acid - CAS 40155-47-3
Catalog: |
BB076178 |
Product Name: |
3-Methoxypyrazine-2-carboxylic acid |
CAS: |
40155-47-3 |
Synonyms: |
3-Methoxypyrazine-2-carboxylic acid; 3-Methoxy-pyrazine-2-carboxylic acid; Pyrazinecarboxylic acid, 3-methoxy-; 3-METHOXY-2-PYRAZINECARBOXYLIC ACID; 3-METHOXYPYRAZINE-2-CARBOXYLICACID |
IUPAC Name: | 3-methoxypyrazine-2-carboxylic acid |
Description: | 3-Methoxypyrazine-2-carboxylic acid |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | COC1=NC=CN=C1C(=O)O |
InChI: | InChI=1S/C6H6N2O3/c1-11-5-4(6(9)10)7-2-3-8-5/h2-3H,1H3,(H,9,10) |
InChI Key: | HIQNMBCMDBUWJV-UHFFFAOYSA-N |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03784206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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