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
3.5141 -0.5649 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2228 -0.5860 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 0.2160 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7897 0.9372 -1.4194 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1129 0.2045 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6624 -0.5562 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0289 -0.5466 0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8572 0.2234 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3097 0.9844 -0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9546 0.9742 -0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2513 -1.1311 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8754 0.0577 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 -1.2240 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 -1.1865 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4462 -1.1607 1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9330 0.2098 0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9770 1.5864 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5126 1.5624 -1.7737 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