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
    3.5896   -1.2590   -1.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114   -0.0533   -0.9707 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8406   -0.0792   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -1.1807    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.1277    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.2779   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0088    1.1241    1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1718    0.3190    0.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0809    0.8635   -0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762    0.1685   -0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.1193   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5357   -1.6816    0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275   -0.9700    1.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   -1.2643   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6612   -1.2201   -2.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0628   -2.1493   -0.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0568    3.2071    0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3699    2.2866   -0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942    2.1642    1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700    0.7224    2.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8744    1.8897   -0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8685    0.6284   -1.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2778   -1.6648   -0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7229   -2.6959    1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7612   -1.4417    1.8700 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