| CAS Number | 1159813-33-8 |
| Catalog Number | AG000H9K(AGN-PC-0WAN2A) |
| Chemical Name | 1-(5-Hydroxypyrazin-2-yl)ethanone |
| IUPAC Name | 5-acetyl-1H-pyrazin-2-one |
| InChI | InChI=1S/C6H6N2O2/c1-4(9)5-2-8-6(10)3-7-5/h2-3H,1H3,(H,8,10) |
| InChI Key | QKRGMTSGTKSZHX-UHFFFAOYSA-N |
| MDL Number | MFCD12400925 |
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.1240 |
| SMILES | CC(C1=NC=C(O)N=C1)=O |
| Synonyms | 1-(5-Hydroxypyrazin-2-yl)ethanone,
1159813-33-8,
AK134806,
5-acetyl-1H-pyrazin-2-one,
5-Acetylpyrazin-2(1H)-one,
SCHEMBL3608095,
DTXSID70738888,
QKRGMTSGTKSZHX-UHFFFAOYSA-N,
KS-00000RL8,
2581AA,
MFCD12400925,
ZINC95093490,
AKOS016842639,
DS-4836,
FCH1134360,
1-(5-hydroxypyrazin-2-yl)ethan-1-one,
AJ-132580,
AX8256572,
ST24037446,
C6H6N2O2,
328961-29-1,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.126g/mol |
| Monoisotopic Mass | 138.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number