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
Resources
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
4.1585 0.3299 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0922 0.7172 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7507 0.2019 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5815 -0.6192 -0.8410 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6281 0.6051 0.7971 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6521 0.1622 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2211 -0.9404 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5139 -1.3623 0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2108 -0.5877 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6848 0.5193 -0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3972 0.9052 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1378 0.7026 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0711 -0.3734 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2326 1.4235 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6149 -1.4931 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9372 -2.2287 1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2286 -0.8710 -0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2235 1.1305 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9682 1.7785 -0.8554 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