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
    3.7971    0.6358   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -0.5186   -0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9316   -0.6415    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704   -1.7072    0.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    0.4215    0.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2972    0.4730    1.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    0.2005    0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4200    1.1785   -0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5211    0.9493   -0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1415   -0.2794   -0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212   -1.2622   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100   -1.0294    0.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340    1.4766   -0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7099    0.7233   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630   -1.3544   -1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.2163    2.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342    1.5070    1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290    2.1573   -0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051    1.7485   -1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9952   -0.4130   -1.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159   -2.2252   -0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1565   -1.8241    1.3060 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