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
2.9913 -0.5494 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5293 0.4858 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2081 0.8960 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1884 2.0583 1.1715 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0743 0.3403 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2141 1.0603 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4823 0.5984 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7046 -0.5842 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6279 -1.2961 -0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3179 -0.8287 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4730 -1.3560 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1114 -0.6381 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3429 1.1982 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0690 1.9975 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3485 1.1786 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7194 -0.9089 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7498 -2.2269 -1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 -1.4252 -0.7930 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