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
2.9097 0.5163 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5348 -0.5378 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2732 -0.9263 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3152 -2.1085 -0.7991 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0472 -0.3643 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1081 -1.0776 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 -0.5936 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7028 0.6200 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7180 1.3566 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4116 0.8437 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3392 1.3513 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9916 0.6103 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3866 -1.2652 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9010 -2.0496 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1890 -1.1508 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7154 1.0054 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8997 2.3281 0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3310 1.4419 0.8195 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