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
3.5471 0.4200 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2829 0.6007 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2748 -0.4212 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 -1.4890 0.9787 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1324 -0.2457 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6441 0.8780 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0048 0.9940 -0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8381 -0.0415 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3674 -1.1712 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0125 -1.2632 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8659 -0.4955 0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2639 1.1892 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0087 1.5331 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0343 1.6753 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3481 1.9107 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8898 0.0603 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 -1.9599 0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6628 -2.1742 0.8708 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