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
2.8803 -0.7086 0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 -0.2478 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3027 0.1414 -0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4156 0.5687 -2.1811 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0264 0.1507 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4197 -0.2364 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7539 -0.1996 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7452 0.2399 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 0.6342 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0811 0.6017 -1.2514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9733 -0.9352 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2974 -0.9284 1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4681 -0.1444 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3141 -0.5889 1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9651 -0.5321 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7812 0.2708 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1859 0.9850 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8416 0.9290 -2.2710 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