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
    3.5952    1.7953   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0098    0.5243   -0.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791    0.1564    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1805    0.9936    0.9651 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700   -1.1337    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770   -2.0487   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413   -1.4761    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2494   -0.6128    0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7068    0.4101    0.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626    1.2074    0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3659    1.0142   -0.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9063   -0.0088   -1.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8664   -0.7953   -1.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076    2.3652    0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239    2.3761   -0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816    1.5847    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458   -1.8572   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3446   -3.0083   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366   -1.4256    1.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3687   -2.5686    0.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054    0.6402    1.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254    2.0132    1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1843    1.6212   -1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3678   -0.1781   -2.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5282   -1.5888   -1.6764 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