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
    4.1504   -0.0257   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975   -0.7986   -0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7709   -0.2163   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837    1.0066    0.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -0.9886   -0.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584   -0.4312   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3776    0.0875   -1.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6457    0.6295   -0.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2285    0.6678    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072    0.1472    1.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359   -0.3959    1.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1673   -0.4201   -0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9762    1.0323    0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755   -1.8434   -0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228    0.0583   -2.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1463    1.0168   -1.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2218    1.0922    0.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9535    0.1694    2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -0.7877    2.0029 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