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
    4.7608    0.1068    0.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190    0.4879    0.4138 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601   -0.4110    0.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6565   -1.5999    0.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877    0.0066    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7222    1.2622   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0729   -1.0359    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4108   -0.5056    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1825   -0.0116    1.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4573    0.4954    0.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9223    0.4880   -0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1771    0.0029   -1.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.4944   -1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3465    1.0389    0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1829   -0.4974   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -0.4862    1.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2682    1.6264   -0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5378    1.9628   -0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741   -1.7994   -0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146   -1.4839    1.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7553   -0.0371    2.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0391    0.8768    1.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9196    0.8803   -0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705    0.0084   -2.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091   -0.8813   -2.0459 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