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
    3.8346   -0.7380   -0.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223    0.0522   -1.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8124    0.5502   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9304    1.3127   -1.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6491    0.2335    0.6759 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5623    0.7461    1.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7484    0.3300    0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295    0.9153    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1559    0.5475    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2514   -0.4398   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705   -1.0485   -0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496   -0.6632   -0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688   -1.1265   -1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7965   -1.0473    0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992    0.3259   -2.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007    0.3476    2.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538    1.8503    1.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9100    1.6981    1.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0960    1.0054    1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1885   -0.7406   -0.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1493   -1.8232   -1.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190   -1.1810   -0.5181 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