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
3.5940 0.0961 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3081 0.3902 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2521 -0.5942 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6533 -1.7943 0.2521 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1563 -0.2774 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5857 1.0041 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9497 1.3302 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8639 0.2948 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4600 -1.0125 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1065 -1.2867 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8491 -0.9562 0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3807 0.8183 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0711 1.4296 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1323 1.7987 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2735 2.3525 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9136 0.4912 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1952 -1.7828 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7363 -2.3016 0.2744 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