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
2.9717 0.5755 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4219 -0.5321 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 -0.9928 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9626 -2.2317 -1.0836 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0940 -0.3751 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2976 -1.1182 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4962 -0.6343 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6048 0.6303 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4547 1.3748 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2333 0.8756 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0907 0.6423 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5942 1.4749 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1481 -1.2807 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2533 -2.1301 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4046 -1.2269 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5496 1.0330 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5121 2.3829 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6038 1.5326 0.4715 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