CC(=O)CC1=CC=CC=C1
CAS: 103-79-7
Name: 1-phenylpropan-2-one
SMILES: CC(=O)CC1=CC=CC=C1

Molecular Processing

Molecular formula
C9H10O
Molecular weight
134.18
Exact mass
134.0732
XLogP
1.82
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
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
0.222
Molar refractivity
40.83

Supplementary Information

InChIKey: QCCDLTOVEPVEJK-UHFFFAOYSA-N
Synonyme
Phenylacetone1-phenylpropan-2-one1-Phenyl-2-propanone103-79-7Benzyl methyl ketoneMethyl benzyl ketonePhenyl-2-propanone3-Phenyl-2-propanone2-Propanone, 1-phenyl-Phenylmethyl methyl ketoneNSC 9827O7IZH10V9YNSC-9827CHEBI:52052RefChem:861696203-144-41-Phenylacetonephenyl acetone1-phenyl-propan-2-one136675-26-8phenylacetonCHEMBL3800510Phenylacetone, 99%EINECS 203-144-4UNII-O7IZH10V9Y(phenyl)acetoneAI3-02938DEA No. 8501methylbenzyl ketonealpha-Phenylacetone
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