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
2.9263 1.0732 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5412 -0.0302 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3318 -0.7008 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -1.8530 1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0402 -0.3682 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0733 -1.2486 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3997 -1.0420 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7745 0.1017 -0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7973 0.9938 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4349 0.7752 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3133 1.7964 -0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0100 1.3445 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4579 -0.6116 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7524 -2.1616 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1386 -1.7542 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8268 0.2752 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0788 1.9074 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2740 1.5028 -0.7722 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