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
    3.7425    0.8698    1.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2336   -0.0882    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766    0.1294   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    1.2141   -0.1285 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4361   -0.8733   -0.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191   -0.6610   -1.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9164   -0.3530   -0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820   -1.3358    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5419   -1.1046    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0752    0.1755    0.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271    1.1609    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4662    0.9125   -0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6757    0.7383    1.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2271    1.8286    1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7589   -1.0221    0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -1.6353   -2.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067    0.0816   -2.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0354   -2.3372   -0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485   -1.9216    1.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.3496    1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9577    2.1485    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573    1.7233   -1.3141 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