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
2.8158 1.2601 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4180 0.2578 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2388 -0.4746 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2986 -1.4646 -1.7613 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 -0.3444 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3664 0.6077 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6500 0.6818 1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6338 -0.1912 0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3446 -1.1526 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 -1.2308 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2909 1.8511 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8955 1.6216 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2700 -0.1476 -1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3632 1.3253 0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8574 1.4480 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6389 -0.1861 1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0973 -1.8806 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8411 -1.9808 -1.3785 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