2,3-Pyrazinedicarboxylic acid, diethyl ester
Basic information
- CAS
2427-90-9- Standard SMILES
CCOC(=O)c1nccnc1C(=O)OCC- InChIKey
FCOTXDSQWWDSPX-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- 2,3-Pyrazinedicarboxylic acid, diethyl ester
- IUPAC
- diethyl pyrazine-2,3-dicarboxylate
- English name
- 2,3-Pyrazinedicarboxylic acid diethyl ester
- Molecular formula
- C10H12N2O4
- Molecular weight
- 224.21
Names & synonyms
diethyl pyrazine-2,3-dicarboxylate2427-90-92,3-pyrazinedicarboxylic acid, diethyl esterDTXSID70875964RefChem:245229DTXCID801014080InChI=1/C10H12N2O4/c1-3-15-9(13)7-8(10(14)16-4-2)12-6-5-11-7/h5-6H,3-4H2,1-2HSCHEMBL21843252MFCD169884502,3-Diethyl 2,3-pyrazinedicarboxylateSY391735DB-376049
Show more names
2,3-Pyrazinedicarboxylic acid diethyl esterPyrazine-2,3-dicarboxylic acid diethyl ester2,3-Pyrazinedicarboxylic acid, 2,3-diethyl ester
Database identifiers
- CAS
2427-90-9- PubChem CID
- 640183
- DTXSID
DTXSID70875964- Nikkaji
- J419.507H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
LogP0.65
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Compound notes
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