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
-2.9441 0.6095 -0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4956 -0.5816 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2013 -1.0723 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1518 -2.3826 -0.0165 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0716 -0.4073 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3161 0.9171 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6091 1.4545 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6765 0.6861 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -0.6495 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1899 -1.1632 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0711 0.6754 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4630 1.5530 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2876 -1.4130 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4519 1.5646 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7746 2.5118 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 1.1550 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2997 -1.2447 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0359 -2.2128 0.5010 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