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
    4.7920   -0.5134    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365   -0.3758    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -0.2723   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7470   -0.3148   -1.5761 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530   -0.1281    0.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1556   -0.0323   -1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    0.1167   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9532   -0.9931   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2273   -0.8323    0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7569    0.4264    0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    1.5371    0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6865    1.3763   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6108   -0.5937    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210   -0.5489   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2974   -0.3394    1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683    0.8236   -1.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2681   -0.9403   -1.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247   -2.0092   -0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8201   -1.6996    0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7617    0.5227    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3899    2.5094    0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411    2.2810   -0.4051 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