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
3.0703 0.3715 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 -0.6943 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1042 -1.0732 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9452 -2.3046 -0.8507 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1227 -0.3857 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2343 0.8957 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4924 1.4895 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6680 0.8317 0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5753 -0.4499 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3550 -1.0340 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1985 0.3238 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6695 1.2946 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2135 -1.5194 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6444 1.4747 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4995 2.5065 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6127 1.3303 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4783 -1.0041 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2705 -2.0529 -0.7571 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