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
3.0494 0.3938 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4917 -0.6946 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1300 -1.0612 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0383 -2.3088 0.7930 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1133 -0.3700 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2659 0.9095 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5420 1.4930 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6738 0.7795 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5488 -0.5061 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3009 -1.0402 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6225 1.3124 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1786 0.4549 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2662 -1.4954 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5668 1.4995 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6061 2.5219 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6422 1.2632 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4399 -1.0973 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2107 -2.0542 0.7967 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