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
3.5541 0.3395 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2513 0.5199 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3454 -0.4444 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7893 -1.4636 0.9547 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0877 -0.2504 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9655 -1.1986 0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3284 -1.0525 0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8875 0.0471 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0653 0.9880 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 0.8194 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2803 1.0364 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9656 -0.5317 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8937 1.3971 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 -2.0678 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0237 -1.7774 1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9619 0.1872 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4570 1.8647 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0778 1.5870 -0.7815 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