Methyl pyrazinoate
PubChem CID: 72662
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| Compound Synonyms | methyl pyrazine-2-carboxylate, 6164-79-0, Methyl 2-pyrazinecarboxylate, Methyl pyrazinoate, Pyrazinoic acid methyl ester, Pyrazinecarboxylic acid, methyl ester, Methyl pyrazinecarboxylate, Methylpyrazine-2-carboxylate, Pyrazine-2-carboxylic acid, methyl ester, 2-methoxycarbonylpyrazine, 2-Pyrazinecarboxylic acid, methyl ester, Pyrazine-2-carboxylic acid methyl ester, 90NZ6P9NG2, EINECS 228-198-6, MFCD00014611, NSC 32337, NSC-32337, Methyl pyrazine 2-carboxylate, DTXSID4064131, NSC32337, PYRAZINAMIDE IMPURITY A [EP IMPURITY], PYRAZINAMIDE IMPURITY A (EP IMPURITY), Methyl2-Pyrazinecarboxylate, 2-methylpyrazine carboxylate, 2-Pyrazinecarboxylic Acid Methyl Ester, UNII-90NZ6P9NG2, Methyl pyrazin-2-carboxylate, methyl 2-pyrazine carboxylate, methyl-2-pyrazine carboxylate, SCHEMBL108950, CHEMBL114792, DTXCID6043092, pyrazine carboxylate methyl ester, OSM-S-147, TWIIRMSFZNYMQE-UHFFFAOYSA-, ALBB-014717, BCP23402, Methyl 2-pyrazinecarboxylate, 97%, RB3190, AKOS000266751, CCG-321173, AC-23437, SY006191, TS-03568, DB-013427, CS-0080007, M2015, NS00014421, EN300-100508, M23850, AN-652/40184635, Q63399729, Z18351140, F2145-0361, InChI=1/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3, 228-198-6 |
|---|---|
| Topological Polar Surface Area | 52.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | methyl pyrazine-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C6H6N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWIIRMSFZNYMQE-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | 0.547 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.381 |
| Compound Name | Methyl pyrazinoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.043 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 138.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8634811999999998 |
| Inchi | InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3 |
| Smiles | COC(=O)C1=NC=CN=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sagittaria Sagitifolia (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Sagittaria Sagittifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Sagittaria Trifolia (Plant) Rel Props:Reference: