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
    4.0037   -0.9419    0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1914   -0.0788   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656   -0.1912    0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2879   -1.1351    0.8131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8424    0.6976   -0.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170    0.5354   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888   -0.2316   -1.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424   -0.4326   -0.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    0.1666    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5127    0.9393    1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1644    1.1149    0.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0649   -0.8500    0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6065   -1.7413    1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5666    0.7211   -0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -0.6845   -1.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2309   -1.0402   -1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3236    0.0378    0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348    1.3976    1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5921    1.7168    1.5457 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