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
   -4.0471   -0.1183    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2587    0.8565    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9721    0.5963   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2475    1.5609   -0.9546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.6623   -0.7906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2557   -1.0051   -1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444   -0.4858   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480   -1.1185    0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607   -0.6708    1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154    0.4535    0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7492    1.1168   -0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231    0.6351   -1.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7694   -1.1668    0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0073    0.0535    0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5653    1.8771    0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1335   -2.1052   -1.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739   -0.6194   -2.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243   -2.0052    0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377   -1.1939    1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0965    0.8371    1.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2516    2.0139   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505    1.1506   -1.9921 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