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
3.9896 -0.6523 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1786 0.0757 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7601 -0.0975 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2917 -0.9488 -1.1283 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8414 0.6432 0.4296 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5271 0.4435 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2826 1.1505 -0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6446 0.9491 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2535 0.0062 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5315 -0.7174 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1648 -0.4827 1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0614 -0.5284 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6038 -1.3891 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5711 0.8094 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8242 1.8991 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2402 1.5179 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3149 -0.1867 0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9631 -1.4637 1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5513 -1.0278 1.8061 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