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
3.5598 0.1028 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2450 0.3241 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2836 -0.4368 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7386 -1.3353 1.1027 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1291 -0.1891 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9898 -0.9685 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3511 -0.7931 0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8487 0.1726 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0111 0.9475 -0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6257 0.7710 -0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8792 -0.6686 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2707 0.6745 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9427 1.0995 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5821 -1.7146 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0350 -1.3929 1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9414 0.3004 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4136 1.7067 -1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0081 1.3997 -1.2788 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