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
    3.9531   -0.6066    0.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2626    0.2638   -0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9026    0.5993    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956    0.0302    1.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479    1.5306   -0.5512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1492    1.7724   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    0.5909   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2628    0.7287    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676   -0.3361    0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267   -1.5352   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -1.6438   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869   -0.6030   -0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5352   -1.1161    1.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9723   -0.8908    0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037    0.7401   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1709    2.1764    0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767    2.5569   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5949    1.6370    0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272   -0.2307    1.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5464   -2.3491    0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -2.5848   -1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835   -0.7299   -1.1868 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