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
3.5067 -0.4212 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2049 -0.5816 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3486 0.4150 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8287 1.4747 -0.6148 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1050 0.2549 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7150 -0.8462 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1102 -0.9862 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8634 0.0143 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2585 1.1279 -0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.2624 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9222 0.4627 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1437 -1.1686 0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8152 -1.4699 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1157 -1.6411 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5605 -1.8731 0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9295 -0.0743 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8331 1.9249 -1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3874 2.1254 -1.0848 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