Monomers
Phenyl acrylate
Identifiers
IUPAC name
phenyl prop-2-enoate
InchI
InChI=1S/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
WRAQQYDMVSCOTE-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OC1=CC=CC=C1
Isomeric SMILES
C=CC(=O)OC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.778
H Bond Acceptors
2
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
19 19 0 0 0 0 0 0 0 0999 V2000
3.7415 -0.8870 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1866 -0.0204 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 0.2512 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1932 1.0717 -1.4514 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9231 -0.3871 0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4367 -0.1104 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -0.8419 -0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6806 -0.6058 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2096 0.3944 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3279 1.1298 1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9705 0.8921 1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1356 -1.4233 0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8093 -1.0711 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7897 0.4882 -1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 -1.6487 -1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3597 -1.2035 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2822 0.5933 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7287 1.9208 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2637 1.4577 1.6597 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 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers