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
   -3.9640    0.6274    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2077    0.2626   -1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9231   -0.3738   -0.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1705   -0.7373   -1.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687   -0.6091    0.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635   -1.2054    0.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224   -0.4614    0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751   -1.0339    0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3143   -0.3945   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    0.8825   -0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9150    1.4595   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7673    0.8090   -0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9197    1.1006   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6220    0.4500    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5341    0.4324   -2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291   -2.2615    0.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2109   -1.2148    1.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2958   -2.0508    0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2967   -0.8656    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0456    1.4128   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8182    2.4585   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010    1.3128   -0.1856 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