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
    3.7518    1.0993    0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982    0.0000   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5403   -0.7178   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6092   -1.7535   -1.2087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3322   -0.2441   -0.0591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710   -0.9949   -0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643   -0.4072    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7691    0.5283   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9286    1.0925   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4385    0.7626    1.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7316   -0.1650    1.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -0.7374    1.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6711    1.6136    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256    1.4997    0.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7421   -0.3490   -0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520   -1.0892   -1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993   -2.0379   -0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753    0.7993   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4592    1.8179   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3534    1.2136    1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914   -0.4566    2.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101   -1.4740    1.9578 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