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
    3.9689   -0.5230   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966   -0.8707    0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225   -0.2261    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -0.5418    1.6382 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5245    0.7957   -0.1615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368    1.5164   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866    0.6810   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026    1.2358    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2866    0.4935    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248   -0.8256   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974   -1.3797   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391   -0.6376   -0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    0.2815   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8989   -1.0009   -0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5243   -1.6651    1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3085    2.1319    0.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    2.2427   -0.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2161    2.2689    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2428    0.9591    0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1324   -1.3933   -0.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9768   -2.4143   -0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0871   -1.1283   -0.7994 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