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
3.5690 0.1457 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3153 0.4108 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2864 -0.4135 0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6714 -1.3810 1.2104 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1367 -0.1895 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0295 -1.0357 0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3914 -0.9019 0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8873 0.1299 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9931 0.9667 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 0.8254 -0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 0.7609 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8477 -0.6814 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0262 1.2373 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6492 -1.8520 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0811 -1.5970 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9428 0.2837 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3686 1.7701 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0391 1.5215 -0.9924 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