Monomers
Acrylophenone
Identifiers
IUPAC name
1-phenylprop-2-en-1-one
InchI
InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
KUIZKZHDMPERHR-UHFFFAOYSA-N
SMILES
C=CC(=O)c1ccccc1
Canonical SMILES
C=CC(=O)C1=CC=CC=C1
Isomeric SMILES
C=CC(=O)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O
Heavy Atom Count
10
Molecular Weight
132.162
Exact Molecular Weight
132.0575
Valence Electrons
50
Radical Electrons
0
tPSA
17.07
MolLogP
2.0553
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
3.5719 0.3652 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2896 0.5595 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2892 -0.4801 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6890 -1.5920 -0.7635 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1258 -0.2826 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0348 -1.3092 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 -1.1327 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8906 0.0578 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9987 1.0815 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6413 0.9023 0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8823 -0.5977 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2836 1.1301 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0073 1.5476 0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6097 -2.2397 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0607 -1.9562 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9566 0.1960 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3427 2.0211 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0287 1.7289 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
2 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers