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
   -3.7171    1.1739   -0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7895   -0.1148   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5920   -0.9050    0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7220   -2.1194    0.4550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.3502    0.1125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228   -1.2073    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576   -0.4325    0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666    0.9092   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    1.6273   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4685    1.0009   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438   -0.3467    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2676   -1.0688    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5803    1.7958   -0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7378    1.6192   -0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7776   -0.5486    0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1997   -2.0585   -0.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3226   -1.6295    1.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    1.3943   -0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2296    2.6834   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982    1.5508   -0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087   -0.8437    0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2886   -2.1298    0.6139 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