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
    3.9519    0.5982    0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301   -0.4632    0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340   -0.3169   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5328    0.8566   -0.6893 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1637   -1.4099   -0.7040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0682   -1.2883   -1.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263   -0.4828   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2050   -0.0789   -1.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1353    0.6696   -0.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162    1.0345    0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.6431    1.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8255   -0.1095    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    1.5864    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975    0.4644    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743   -1.4496    0.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5179   -2.2603   -1.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169   -0.7338   -2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798   -0.3669   -2.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0613    0.9783   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589    1.6247    1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5548    0.9219    2.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878   -0.4177    1.2511 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