- InChI
- InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
- InChI Key
- DBZAKQWXICEWNW-UHFFFAOYSA-N
- Formula
- C6H6N2O
- SMILES
- CC(=O)c1cnccn1
- Molecular Weight1
- 122.12
- CAS
- 22047-25-2
- Other Names
-
- 2-Acetylpyrazine
- Ethanone, 1-pyrazinyl-
- Ketone, methyl pyrazinyl
- pyrazin-1-ylethan-1-one
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 0.679 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| Inp | [987.00; 1036.00] |
|
|
| Inp | 987.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 1036.00 | NIST | |
| I | [1597.00; 1665.00] |
|
|
| I | 1599.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1650.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1646.00 | NIST | |
| I | 1650.00 | NIST | |
| I | 1633.00 | NIST | |
| I | 1618.00 | NIST | |
| I | 1627.00 | NIST | |
| I | 1627.00 | NIST | |
| I | 1619.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1604.00 | NIST | |
| I | 1636.00 | NIST | |
| I | 1604.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1656.00 | NIST | |
| I | 1608.00 | NIST | |
| I | 1609.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1636.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1627.00 | NIST | |
| I | 1618.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1646.00 | NIST | |
| I | 1614.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1607.00 | NIST | |
| I | 1597.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1627.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1599.00 | NIST | |
| I | 1609.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1665.00 | NIST |
Similar Compounds
Find more compounds similar to Acetylpyrazine.
Sources
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