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
3.7715 0.5829 -0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0572 0.9684 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 0.7149 0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 1.0804 1.5920 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9479 0.0727 -0.4212 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4199 -0.1476 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3745 0.7295 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7175 0.4062 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1392 -0.7800 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1788 -1.6481 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8327 -1.3295 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8189 0.7287 -0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2756 0.0681 -1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5676 1.4700 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0280 1.6461 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4704 1.0885 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2083 -0.9898 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4911 -2.5874 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1395 -2.0740 0.6228 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