Basic information
- CAS
940-07-8- Standard SMILES
O=C(O)c1cncc(C(=O)O)n1- InChIKey
CGGUNVYOABLSQD-UHFFFAOYSA-N- Molecular formula
- C6H4N2O4
- Average molar mass
- 168.11 g/mol
- Monoisotopic mass
- 168.01710661
Names & identifiers
- Preferred name
- Pyrazine-2,6-dicarboxylic Acid
- IUPAC
- pyrazine-2,6-dicarboxylic acid
- English name
- Pyrazine-2,6-dicarboxylic acid
- Molecular formula
- C6H4N2O4
- Molecular weight
- 168.11
Names & synonyms
Pyrazine-2,6-dicarboxylic Acid940-07-8DTXSID90469283RefChem:375930DTXCID40420102MFCD086941022,6-Pyrazinedicarboxylic acidSCHEMBL69399Pyrazine-26-dicarboxylic acidPyrazine-2,6-dicarboxylicAcidorb3215027AKOS000279993
Show more names
DK7722AKOS 90649Glipizide Impurity 44
CS-W022938SY113243TS-00144A10549F321804
Database identifiers
- CAS
940-07-8- PubChem CID
- 11601391
- DTXSID
DTXSID90469283- Nikkaji
- J803.142H
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 225 ℃ · 225℃
- Boiling point
- 491.3 · 491.3±45.0 °C(Predicted)
- Density
- 1.665 · 1.665±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- pka
- 2.24 · 2.24±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C6H4N2O4/c9-5(10)3-1-7-2-4(8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
- InChIKey
- CGGUNVYOABLSQD-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC(C(O)=O)=CN=C1
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers55 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
United Life Science
Related reactions
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Compound notes
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