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
    3.7263    0.9839    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7609   -0.3190    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467   -1.0773   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -2.3208   -0.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791   -0.5176   -0.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1065   -1.2864   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972   -0.4214   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349    0.9282   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0496    1.7351    0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3387    1.2628   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4717   -0.0945   -0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3747   -0.9087   -0.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    1.5106    0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6183    1.5766    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7162   -0.8157   -0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521   -2.1780    0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1442   -1.6424   -1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323    1.3777    0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9150    2.7931    0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2048    1.9216   -0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4676   -0.5340   -0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5073   -1.9739   -0.5952 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