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
3.6029 0.0412 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3269 0.3735 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2634 -0.6027 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5740 -1.8426 -0.1527 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1531 -0.3024 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1150 -1.2618 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4644 -0.9811 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8591 0.3481 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9239 1.3219 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5756 1.0026 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3841 0.7709 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8807 -0.9952 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0912 1.4234 0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8347 -2.3220 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2231 -1.7498 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9048 0.6022 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1947 2.3591 0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1252 1.8148 0.1253 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