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
3.0328 0.7235 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5316 -0.4700 0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2100 -0.9979 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2049 -2.3200 0.2922 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0790 -0.3957 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3472 0.9320 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6445 1.4404 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7173 0.5949 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4875 -0.7584 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2011 -1.2342 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1524 0.7976 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4810 1.6310 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3653 -1.2545 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4129 1.6629 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8333 2.5070 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7358 0.9100 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3132 -1.4637 -0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0321 -2.3049 0.1020 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