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
    3.7163    0.4777   -1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526   -0.5682   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304   -1.0522    0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5644   -2.0558    1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2967   -0.4530    0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398   -0.9954    0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0695   -0.2401    0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -0.5576   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    0.1901   -0.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    1.2677   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5570    1.5827    0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4364    0.8338    1.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347    0.8356   -1.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7643    0.9491   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6862   -1.0740   -0.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994   -0.9605    1.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067   -2.0533    0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991   -1.4023   -1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034   -0.0683   -1.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548    1.8382   -0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8316    2.4237    1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074    1.0819    2.0078 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