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
    3.9109    0.6782    0.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2628   -0.4260    0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0134   -0.4240   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4529   -1.5197   -0.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4152    0.7174   -0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.7931   -1.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.2405   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5546    1.0762    0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    0.6107    0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646   -0.6330    0.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5553   -1.4353   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4608   -1.0120   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    0.6173    1.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5044    1.6163    0.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578   -1.3817    0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017    0.3429   -2.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    1.8931   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693    2.0585    0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1132    1.2523    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0318   -0.9759    1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9653   -2.4314   -0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -1.6576   -1.7027 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