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
3.5548 -0.4460 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2348 -0.5031 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3593 0.2252 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9296 0.9283 1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0899 0.1899 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8844 0.9117 1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2614 0.8958 1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8686 0.1351 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1360 -0.5957 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7396 -0.5436 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9624 0.1633 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1672 -0.9931 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7784 -1.1170 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3609 1.4893 1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8458 1.4750 1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9640 0.1190 0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6175 -1.1908 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2183 -1.1433 -1.4517 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