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
    4.0195    0.6195    0.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964    1.1120   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422    0.4299   -0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1699    0.9208   -1.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648   -0.7590    0.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -1.4498   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -0.7140    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0564   -1.2449   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589   -0.6142   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3082    0.5821    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212    1.1101    0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045    0.4754    0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7833   -0.2966    1.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310    1.1288    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479    2.0381   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322   -1.7937   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3669   -2.3913    0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -2.1859   -0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2087   -1.0202   -0.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2374    1.1008    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    2.0386    1.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0097    0.9133    1.0517 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