Basic information
- CAS
770-00-3- Standard SMILES
COC(=O)c1c[n+]([O-])ccn1- InChIKey
ZTAQCRRTNOJVIU-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784206
Names & identifiers
- Preferred name
- 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide
- IUPAC
- methyl 4-oxidopyrazin-4-ium-2-carboxylate
- English name
- Methyl2-pyrazinecarboxylate4-oxide
- Molecular formula
- C6H6N2O3
- Molecular weight
- 154.12
Names & synonyms
770-00-3RefChem:2665182-Pyrazinecarboxylic acid, methyl ester, 4-oxideMethyl 2-pyrazinecarboxylate 4-oxideSCHEMBL11345192-carbomethoxy-pyrazine 4-oxideOSM-S-148AKOS0062749694-oxido-pyrazin-4-ium-2-carboxylic acid methyl ester3-Methoxycarbonylpyrazine 1-oxideMethyl2-pyrazinecarboxylate4-oxide2-(Methoxycarbonyl)pyrazine 4-oxide
Show more names
2-Pyrazinecarboxylic acid 4-oxide methyl ester
Database identifiers
- CAS
770-00-3- PubChem CID
- 565876
- DTXSID
DTXSID301240084- Nikkaji
- J346.739B
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Boiling point
- 408.7 · 408.7±25.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -0.57 · -0.57±0.39(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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