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
    3.9757    0.8094   -0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2502   -0.2604   -0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076   -0.5207   -0.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -1.5759   -0.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4775    0.3226    0.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104    0.1701    1.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9309    0.0623    0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5614    1.1716    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7252    1.0748   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2485   -0.1847   -0.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203   -1.2837   -0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4606   -1.1879    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581    1.5463   -0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    0.9581   -1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816   -0.9943   -1.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3678   -0.6858    2.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2268    1.0777    2.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760    2.1604    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139    1.9522   -1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1674   -0.2513   -1.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256   -2.2639   -0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9831   -2.0969    0.7906 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