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
    1.8539    1.5483    3.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4148    2.0826    2.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2642    1.2814    0.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616    0.0498    0.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084    1.7789   -0.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6670    0.9734   -1.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2953   -0.1381   -1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1293   -0.2217   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0065   -1.2691    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0768   -2.2919   -0.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490   -2.2263   -1.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612   -1.1594   -2.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1016    0.5058    3.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9559    2.1876    4.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1556    3.1521    2.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549    0.5819   -1.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511    1.6374   -2.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1054    0.5557    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6354   -1.2860    0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720   -3.1199   -0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052   -3.0253   -2.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -1.1799   -3.0199 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