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
2.5175 1.7639 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4335 0.5615 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4091 -0.4110 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -1.5239 -1.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0589 -0.4206 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -1.5543 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0845 -1.5956 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6530 -0.5166 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8776 0.5892 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5352 0.6308 0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5185 2.2785 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8148 2.3867 0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4639 0.2644 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3375 -2.3976 -1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6790 -2.4918 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6839 -0.5439 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3250 1.4265 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0574 1.5539 0.5686 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