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
3.5555 -0.4160 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2462 -0.2514 -0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3425 -0.1740 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8082 -0.2632 1.5869 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1015 0.0047 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9253 0.0728 1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 0.2404 1.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9087 0.3496 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1048 0.2838 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7174 0.1137 -0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2692 -0.4796 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 -0.4896 0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8786 -0.1785 -1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4264 -0.0150 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8979 0.2882 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9815 0.4813 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5552 0.3659 -2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 0.0668 -1.8619 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