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
    3.5571    1.7377   -0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    0.5381   -0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9874   -0.0032   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4910    0.7227    0.6979 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4718   -1.2661   -0.3777 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -1.7100    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8203   -0.8854    0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   -0.0404    1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3706    0.7316    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1438    0.6643    0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -0.1851   -0.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917   -0.9524   -0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3769    2.1128   -1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    2.3434    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5566   -0.0652   -1.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148   -1.8503    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1703   -2.7566    0.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    0.0554    2.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7018    1.4051    1.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0382    1.2605   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3397   -0.2498   -1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3302   -1.6069   -1.6618 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