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
3.5864 0.0180 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2911 0.3442 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2559 -0.6498 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5660 -1.8781 0.0693 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1417 -0.2683 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5483 1.0406 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9051 1.3683 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8120 0.3573 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4592 -0.9730 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 -1.2672 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3622 0.7354 -0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8357 -1.0237 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0271 1.3885 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1533 1.8712 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1926 2.4220 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8887 0.5757 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2114 -1.7700 0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7951 -2.2912 0.2197 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