CCC(=O)C1=CC=C(C=C1)C
CAS: 5337-93-9
Nom: 1-(4-methylphenyl)propan-1-one
SMILES: CCC(=O)C1=CC=C(C=C1)C

Molecular Processing

Molecular formula
C10H12O
Molecular weight
148.2
Exact mass
148.0888
XLogP
2.59
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
45.8

Supplementary Information

InChIKey: PATYHUUYADUHQS-UHFFFAOYSA-N
Synonymes
4'-Methylpropiophenone5337-93-91-(p-tolyl)propan-1-onep-Methylpropiophenone4-Methylpropiophenone1-(4-methylphenyl)propan-1-one1-Propanone, 1-(4-methylphenyl)-p-Tolyl ethyl ketoneNSC-8528490C17WABEINECS 226-267-5AI3-04217CHEBI:59335PATYHUUYADUHQS-UHFFFAOYSA-DTXSID00201535NSC 852RefChem:858134DTXCID30124026226-267-5InChI=1/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3p-methyl propiophenoneMFCD000093121-(4-METHYLPHENYL)-1-PROPANONE4?-Methylpropiophenone1-p-Tolyl-propan-1-oneNSC8521-p-tolylpropan-1-onePropiophenone, 4'-methyl-4 inverted exclamation marka-MethylpropiophenoneSCHEMBL507067
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→