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
    3.7208    0.2897    1.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7631   -0.5598    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580   -0.9418   -0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133   -1.7583   -1.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3116   -0.4137   -0.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563   -0.7832   -0.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565   -0.1125   -0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8296   -0.6926    0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9775   -0.1313    1.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3845    1.0781    0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6359    1.7032   -0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4946    1.1045   -0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023    0.5635    1.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859    0.7396    1.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7082   -1.0049    0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272   -1.8880   -0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890   -0.6628   -1.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.6361    0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5336   -0.6540    1.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2744    1.5279    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    2.6558   -0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031    1.5767   -1.6739 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