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
    3.7686    1.1287    0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830   -0.0966   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5654   -0.8508   -0.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631   -2.0009   -1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3287   -0.3226   -0.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802   -1.1206   -0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689   -0.4227   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446    0.3755   -1.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9149    1.0361   -0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4444    0.9145    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7886    0.1230    1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200   -0.5332    0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271    1.5912    0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769    1.6831    0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7553   -0.5086   -0.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905   -2.0708   -0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -1.4100   -1.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431    0.4864   -2.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3983    1.6537   -1.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3579    1.4459    0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281    0.0431    2.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132   -1.1442    1.7012 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