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
    3.6794    0.5593    0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2287   -0.3312   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959   -0.4417   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447   -1.2989   -1.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757    0.3483    0.3344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4815    0.2216    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1945   -0.6590    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5654   -0.8366    0.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1973   -0.1132   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4667    0.7611   -1.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1086    0.9476   -0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7515    0.6614    0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790    1.2168    1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9501   -0.9515   -0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7236   -1.2393    1.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0932   -1.5378    1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592   -0.2675   -0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9710    1.3223   -1.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.6384   -1.5111 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