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
4.1281 -0.1933 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0798 -0.4513 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -0.1857 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6102 0.2910 -1.2392 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5984 -0.4387 0.6467 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6801 -0.1903 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 1.0631 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4529 1.3889 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1699 0.4447 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6875 -0.8219 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4178 -1.1069 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0077 0.2133 -1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1155 -0.3836 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2219 -0.8609 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6437 1.8125 0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8795 2.3667 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1699 0.6990 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2177 -1.5735 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9830 -2.0732 -0.7097 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