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
-3.0191 0.7851 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5453 -0.3999 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2475 -0.9611 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2978 -2.2859 -0.2311 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0728 -0.4141 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3752 0.8989 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7017 1.3721 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7483 0.4986 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4720 -0.8165 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1741 -1.2748 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1182 0.9630 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 1.6672 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4045 -1.1680 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3926 1.6337 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8902 2.4343 0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7608 0.8812 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3165 -1.5013 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9748 -2.3123 -0.3277 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