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
3.0967 0.3780 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4724 -0.7114 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1090 -1.0661 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9538 -2.3353 -0.6602 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1328 -0.3549 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3277 -1.0787 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5483 -0.4707 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6628 0.8422 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 1.5323 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2376 0.9600 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6707 1.3103 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2125 0.3525 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1826 -1.5902 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3095 -2.1307 -0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4534 -1.0550 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6411 1.2874 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5219 2.5771 0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6377 1.5533 0.4477 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