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
   -4.0442    0.6055   -0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3748   -0.3113    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0566   -0.0240    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222    1.1226    0.3627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3026   -0.9492    1.2413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -0.6960    1.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894   -0.3423    0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592   -0.4144   -0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9092   -0.0430   -1.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1111    0.4077   -0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547    0.4849    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067    0.1141    1.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0289    0.4442   -1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6374    1.6107   -0.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8224   -1.2746    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    0.0598    2.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3133   -1.6542    2.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -0.7715   -0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927   -0.1049   -2.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408    0.7010   -1.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067    0.8414    0.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3705    0.1935    2.3514 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