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
2.9047 -1.0026 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5625 0.2322 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3055 0.9124 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3649 2.2333 -0.2185 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0503 0.4510 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0997 1.3893 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3899 0.9859 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7224 -0.3381 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7436 -1.2927 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4153 -0.8715 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3590 -1.8941 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0146 -1.2109 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4553 0.9522 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9152 2.4591 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2107 1.7087 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7561 -0.6767 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9608 -2.3659 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 -1.6715 0.0719 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