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
4.0764 0.2784 0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1566 -0.4506 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7524 -0.0958 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4306 0.9180 0.7877 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7531 -0.8356 -0.4972 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5792 -0.4394 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3646 -0.9044 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6856 -0.5008 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2696 0.3679 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4841 0.8333 -1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 0.4323 -1.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8143 1.1654 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1253 0.0264 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4646 -1.3149 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8978 -1.5857 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2804 -0.8835 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3038 0.6583 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9621 1.5165 -1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5768 0.8144 -2.0769 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