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
cid=

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
    3.7944    0.4241   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769    0.5394    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    0.3584    0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1569    0.4722    1.6995 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9353    0.0484   -0.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381   -0.1252   -0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100    0.9358   -0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6795    0.7965   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2296   -0.4420   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3653   -1.5024    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916   -1.3610   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    0.5548   -0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    0.1828   -1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    0.7785    1.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823    1.9025   -0.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    1.6533   -0.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3045   -0.5217   -0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7934   -2.4888    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157   -2.2054    0.0025 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