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
3.9791 0.7365 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1190 -0.2462 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 0.0311 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3561 1.2273 0.1306 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7797 -1.0037 0.1213 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5350 -0.6195 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0682 -0.4528 -1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 -0.0642 -1.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2260 0.1658 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7005 0.0014 0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 -0.3826 0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6129 1.7471 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0409 0.5774 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4469 -1.2667 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 -0.6289 -2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8125 0.0650 -2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2597 0.4673 -0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3019 0.1680 1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9351 -0.5223 1.9607 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