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
    4.0961   -0.5541    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643   -0.7335   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564   -0.2911   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419    0.2396    1.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492   -0.4491   -0.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -0.0614   -0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0942    1.2022   -0.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830    1.5397   -0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092    0.6564    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7464   -0.6132    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645   -0.9376    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0647   -0.8793   -0.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138   -0.0995    1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057   -1.1971   -1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4767    1.9297   -1.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7603    2.5342   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2242    0.9257    0.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4081   -1.2927    1.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932   -1.9188    0.3672 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