Monomers

Methyl 2-benzylacrylate

Identifiers

IUPAC name
methyl 2-benzylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
DQQJYBYIABSMFM-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)Cc1ccccc1
Canonical SMILES
COC(=O)C(=C)CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)CC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
1.9583
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

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6732    1.0913    1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0254    0.2538    0.3496 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130   -0.2128    0.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1596    0.1801    1.5851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030   -1.0805   -0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7969   -1.4233   -1.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661   -1.6022   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3108   -0.5611   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547    0.0398   -1.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    1.0009   -1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3157    1.4069   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7798    0.8133    1.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7849   -0.1624    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163    2.1610    0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7549    0.7742    1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009    1.0220    2.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153   -2.0592   -2.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991   -1.0452   -1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -2.2791    0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205   -2.2349   -1.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4771   -0.2784   -2.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2585    1.4710   -2.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0875    2.1668    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1536    1.1279    2.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352   -0.5697    1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers