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23787-80-6 | 1-(3-Methylpyrazin-2-yl)ethanone
CAS No: 23787-80-6 Catalog No: AG00332L MDL No:MFCD00014612
Product Description
Catalog Number:
AG00332L
Chemical Name:
1-(3-Methylpyrazin-2-yl)ethanone
CAS Number:
23787-80-6
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD00014612
IUPAC Name:
1-(3-methylpyrazin-2-yl)ethanone
InChI:
InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3
InChI Key:
QUNOTZOHYZZWKQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1nccnc1C
EC Number:
245-889-8
UNII:
7U5TEW2Y2B
FEMA Number:
3964
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| 2-Acetyl-3-methyl-pyrazine phenyl-sulfonyl-hydrazone. | Acta crystallographica. Section E, Structure reports online 20080501 |
| 2-Hydr-oxy-N'-[1-(3-methyl-pyrazin-2-yl)ethyl-idene]benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20080401 |
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