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
    3.6873    0.4605   -1.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906    0.3975   -0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138    0.2311    0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7395    0.1737    1.7346 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3291    0.1279   -0.0155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202   -0.0356    0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0563   -0.1237    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409   -1.3441   -0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7184   -1.4767   -1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4549   -0.3513   -1.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942    0.8983   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986    0.9927   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204    0.3894   -2.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339    0.5846   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7529    0.4704    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067   -0.9719    1.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385    0.8538    1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9550   -2.2296   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0942   -2.4266   -1.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3920   -0.3780   -1.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5742    1.7865   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4540    1.9708    0.1294 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