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
    3.9202    1.1394    0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177    0.2205   -0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0066   -0.2962    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4451    0.1564    1.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332   -1.2497   -0.4776 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0711   -1.7689   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0021   -0.7459   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -1.0588    0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690   -0.1402    0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0512    1.1229   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8166    1.4764   -0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8148    0.5059   -0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    1.5580    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4143    1.4999    1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8203   -0.1516   -1.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1683   -2.5285   -0.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0766   -2.3540    0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3662   -2.0644    0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264   -0.4013    0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8528    1.8393    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6314    2.4626   -0.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1355    0.7782   -1.0382 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