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
4.0557 -0.5249 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1501 -0.3094 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7618 -0.1965 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4131 -0.3031 -1.2028 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7310 0.0320 0.9193 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5830 0.1307 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3874 -0.9865 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6924 -0.8865 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2370 0.3325 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4446 1.4539 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1478 1.3368 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7818 -0.6206 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1147 -0.6238 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4470 -0.2199 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0311 -1.9815 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 -1.7418 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2494 0.4538 -0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7980 2.4421 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5272 2.2128 0.1707 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