CC(=O)C1=CC=NC=C1
CAS: 1122-54-9
Nom: 1-pyridin-4-ylethanone
SMILES: CC(=O)C1=CC=NC=C1

Molecular Processing

Molecular formula
C7H7NO
Molecular weight
121.14
Exact mass
121.0528
XLogP
1.28
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
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
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
34.24

Supplementary Information

InChIKey: WMQUKDQWMMOHSA-UHFFFAOYSA-N
Synonymes
4-Acetylpyridine1122-54-91-pyridin-4-ylethanoneMethyl 4-pyridyl ketoneEthanone, 1-(4-pyridinyl)-Ketone, methyl 4-pyridylPyridine, 4-acetyl-4-Pyridyl methyl ketone1-(4-PYRIDINYL)ETHANONENSC-111G47437IOW7DTXSID0022147RefChem:517351DTXCID402147214-350-91-(pyridin-4-yl)ethan-1-one4-Acetyl pyridine1-(pyridin-4-yl)ethanone1-(4-pyridyl)ethanoneMFCD000064331-Pyridin-4-yl-ethanoneCCRIS 5954NSC 111EINECS 214-350-9BRN 0107629UNII-G47437IOW7AI3-268224-Acetyl-pyridine.gamma.-Acetylpyridine4-Acetylpyridine, 97%
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Impliqué dans 188 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→