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
2.8881 -0.8825 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 0.3240 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2016 0.9423 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2290 2.2456 -0.7351 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0715 0.4153 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1617 1.2955 0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3990 0.8789 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6574 -0.4360 0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6164 -1.3104 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3468 -0.8840 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9683 -1.0678 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4256 -1.7979 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2669 1.0400 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9630 2.3428 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2157 1.5911 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6455 -0.7396 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7844 -2.3470 0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4273 -1.6103 0.1620 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