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
   -3.5530    1.1307    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6972   -0.1660    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5498   -1.0753    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6900   -2.3060   -0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685   -0.5598    0.0249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1047   -1.3412   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -0.4283   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9015    0.9282    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0051    1.7330    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2649    1.1858   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4057   -0.1782   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202   -1.0171   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3948    1.7745    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5729    1.5575    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881   -0.5947    0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1581   -1.7580   -1.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043   -2.1300    0.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1055    1.3387    0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8937    2.8227    0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1415    1.8307   -0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3821   -0.6556   -0.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929   -2.0915   -0.3799 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