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
3.5305 0.5221 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 0.7063 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3152 -0.3630 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -1.4482 -0.7707 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1276 -0.2629 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7026 0.8762 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0923 0.9746 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8655 -0.1132 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3163 -1.2797 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9330 -1.3319 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9279 -0.4060 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2355 1.3033 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9211 1.6586 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0704 1.7133 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5354 1.8740 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9438 -0.0789 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9455 -2.1135 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4540 -2.2312 -0.8513 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