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
3.5454 0.3203 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2815 0.5004 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2435 -0.4332 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6099 -1.4235 -1.1562 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1504 -0.2247 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0774 -1.1806 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4114 -1.0481 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8275 0.0280 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9487 0.9920 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 0.8419 0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2804 1.0339 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8559 -0.5129 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0235 1.3661 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6872 -2.0050 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1156 -1.7775 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8745 0.1119 0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2385 1.8401 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0962 1.5707 0.9662 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