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
    3.4811    1.3097    0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258    0.0294    0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6087   -0.9354    0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662   -2.1538    0.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3127   -0.5158    0.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907   -1.3567    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0351   -0.5418    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3067   -1.0922    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516   -0.3355   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3275    1.0387   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819    1.6256   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540    0.8207   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    1.9981    0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4818    1.7108    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489   -0.3029    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2416   -2.1904   -0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -1.8268    1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3955   -2.1692    0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4497   -0.7655   -0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1898    1.6631   -0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9536    2.6844   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204    1.3055   -0.0508 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