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
3.5463 -0.1703 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2860 0.0847 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 -0.4175 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5863 -1.0870 -1.4753 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1418 -0.1490 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1647 -0.6211 -0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5028 -0.4022 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8602 0.3378 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8720 0.8226 1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5149 0.5812 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7691 -0.7515 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3899 0.1656 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1377 0.6781 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8582 -1.1976 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2553 -0.7990 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9067 0.5178 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1019 1.4115 2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2190 0.9961 1.6297 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