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
    4.0328   -0.0901   -0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2423   -0.8533    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9238   -0.3554    0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2021   -1.1224    1.1768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570    0.8876    0.1718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2130    1.4080    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368    0.6227    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    0.8876    0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3032    0.1792    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1628   -0.8243   -0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8885   -1.0900   -1.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977   -0.3663   -0.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9943   -0.4409   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7195    0.8915   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -1.8478    0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767    1.5046    1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518    2.4408    0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3642    1.6542    1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3011    0.3888    0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0067   -1.3942   -1.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7719   -1.8718   -2.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611   -0.6084   -1.2999 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