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
    4.6129    0.0517    1.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116    0.2115    1.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611   -0.2263    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794   -0.7573   -0.8266 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0818   -0.0971    0.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2989   -0.5485   -0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -0.2621   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904   -1.1930    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055   -0.9287    0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7242    0.2858   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    1.2202   -0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644    0.9557   -0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774    0.3732    1.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1029   -0.4004    0.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829    0.6677    2.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6186   -0.1027   -1.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903   -1.6521   -0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -2.1239    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8009   -1.6759    0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7589    0.4812    0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3886    2.1713   -0.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0488    1.6686   -1.4738 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