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
    4.0530    0.5499   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3198   -0.4503    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9952   -0.1947    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171    0.9875    0.6819 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -1.1937    1.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324   -1.0188    1.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0887   -0.3863    0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6778   -1.1129   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5691   -0.5529   -1.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178    0.7791   -1.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382    1.5123   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4466    0.9447    0.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    1.5634   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0580    0.4329   -0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6880   -1.4488    0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950   -2.0530    1.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1209   -0.4728    2.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4036   -2.1630   -0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0308   -1.1167   -2.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6186    1.2393   -1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6068    2.5736   -0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215    1.5812    1.5006 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