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53342-27-1 | 1-(2-Pyrimidinyl);ethanone
CAS No: 53342-27-1 Catalog No: AG003GBJ MDL No:MFCD08361636
Product Description
Catalog Number:
AG003GBJ
Chemical Name:
1-(2-Pyrimidinyl);ethanone
CAS Number:
53342-27-1
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD08361636
IUPAC Name:
1-pyrimidin-2-ylethanone
InChI:
InChI=1S/C6H6N2O/c1-5(9)6-7-3-2-4-8-6/h2-4H,1H3
InChI Key:
SPZUXKZZYDALEY-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncccn1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/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 |
|---|---|
| Oxidation of acetyl-pyrimidine wastewater by Fenton process. | Water science and technology : a journal of the International Association on Water Pollution Research 20100101 |
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