CC(=O)C1=CN=CN=C1
CAS: 10325-70-9
Название: 1-pyrimidin-5-ylethanone
SMILES: CC(=O)C1=CN=CN=C1

Molecular Processing

Molecular formula
C6H6N2O
Molecular weight
122.13
Exact mass
122.048
XLogP
0.68
TPSA
42.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
32.04

Supplementary Information

InChIKey: COTYNDRSENVEFI-UHFFFAOYSA-N
Синонимы
1-(Pyrimidin-5-yl)ethan-1-oneRefChem:428631833-078-75-Acetylpyrimidine10325-70-91-(5-Pyrimidinyl)ethanone1-(pyrimidin-5-yl)ethanone1-pyrimidin-5-ylethanoneMFCD09038477Ethanone, 1-(5-pyrimidinyl)-1-(5-Pyrimidinyl)ethanone #SCHEMBL1640391SCHEMBL1897307CHEMBL5270252SCHEMBL12470945DTXSID60341325CS-D0295SBB065701AKOS011779966AC-6900PB20327PS-4755SY005489DB-010218EN300-80488F077662Q63392382Z9922403125-Acetylpyrimidine; Ethanone, 1-(5-pyrimidinyl)-; Ketone, methyl 5-pyrimidinyl (7CI,8CI); 1-(5-Pyrimidinyl)ethanone; 1-Pyrimidin-5-ylethanone; 5-Acetylpyrimidine
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