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
    4.7697    0.1589   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012    0.2332    0.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768   -0.1444   -0.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6626   -0.5682   -1.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660   -0.0435   -0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    0.4098    0.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -0.4346   -1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269   -0.2234   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9961   -1.2129    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -1.0289    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8220    0.1758    0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2603    1.1766    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0671    0.9945   -0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0663    1.1703   -0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -0.6220   -1.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353   -0.0716    0.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158    0.7045    1.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    0.4881    1.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    0.1372   -2.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087   -1.5244   -1.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5163   -2.1869    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6322   -1.8178    1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7668    0.3228    1.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8019    2.1117    0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6469    1.7955   -1.1494 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