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
    3.9922   -0.3382   -0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1425   -0.9703    0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619   -0.4212    0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522   -1.0144    1.4483 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5106    0.8291    0.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2894    1.4036    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8993    0.6383    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1279    1.0009    0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716    0.3470    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1799   -0.7039   -0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9453   -1.0774   -1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943   -0.4259   -0.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535    0.6525   -0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9372   -0.7523   -0.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004   -1.9517    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399    2.4019    0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343    1.6749    1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675    1.8283    1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1980    0.6783    0.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0974   -1.2115   -0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023   -1.9031   -1.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692   -0.6849   -1.1179 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