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
    3.6016    0.5788    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.4093   -0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142   -1.0478   -1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813   -1.9869   -1.9342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -0.5845   -0.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374   -1.1075   -0.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101   -0.3157   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378    0.8205   -0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5565    1.6245    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9265    1.2473    1.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856    0.0981    1.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751   -0.6990    1.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5212    1.0532    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461    0.9293    0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4867   -0.7704   -1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3857   -0.9826   -1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238   -2.1562   -0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3676    1.1455   -1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9825    2.5169   -0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6399    1.8491    1.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6752   -0.2050    2.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530   -1.5984    1.6338 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