Monomers

Benzyl acrylate

Identifiers

IUPAC name
benzyl prop-2-enoate
InchI
InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2
InchI Key
GCTPMLUUWLLESL-UHFFFAOYSA-N
SMILES
C=CC(=O)OCc1ccccc1
Canonical SMILES
C=CC(=O)OCC1=CC=CC=C1
Isomeric SMILES
C=CC(=O)OCC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.9158
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.8932    0.8299    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2198    0.4247   -0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729   -0.3157   -0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277   -0.5751    0.8466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174   -0.7698   -1.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0295   -1.4751   -1.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -0.7337   -0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2766   -1.1091    0.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2582   -0.3990    1.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9545    0.6442    0.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892    1.0154   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100    0.3098   -1.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8246    1.3833    0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5360    0.6222    1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    0.6511   -1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664   -1.7081   -2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1832   -2.4783   -0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882   -1.9098    1.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785   -0.6829    2.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.1781    1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2453    1.8291   -0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5076    0.6080   -2.0470 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  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers