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
   -2.9387    1.3975    0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9266    0.4331    0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854   -0.7426   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0578   -0.9544   -0.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8871   -1.6934   -0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -2.8038   -0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3872   -1.5205    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600   -0.3321    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879   -0.3088   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7035    0.8206   -1.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931    1.9633   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7744    1.9694    0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780    0.8024    1.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355    1.6050    1.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554    1.1327    0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5260    2.3548    0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -2.9768   -1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2623   -3.5573   -0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0357   -2.4173    0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1188   -1.4102    1.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0619   -1.2010   -1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.8534   -2.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    2.8609   -0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7005    2.8646    1.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4535    0.8604    1.9158 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