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
-3.4211 1.0716 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1155 0.9126 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3282 -0.0134 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8722 -0.6577 -1.4177 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0862 -0.2059 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7365 0.4704 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0956 0.2324 1.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8154 -0.6549 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1411 -1.3121 -0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8134 -1.1061 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0314 1.7576 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8597 0.4992 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 1.4898 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2327 1.1803 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6063 0.7724 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8636 -0.8052 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6809 -2.0149 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2638 -1.6159 -1.7711 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