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
   -3.8014   -0.9395    0.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9994    0.1996    0.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7896    0.0781   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887   -1.0746   -0.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776    1.2514   -0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998    2.4018    0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004    1.1289   -1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820    0.2254   -0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698    0.6509    0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0124   -0.1551    1.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2141   -1.4407    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434   -1.8853   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -1.0547   -0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6714   -1.2754    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8732   -0.6757    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4658   -1.7451    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    2.4664    0.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370    3.3299   -0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680    2.1564   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967    0.8698   -2.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9445    1.6556    0.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923    0.2312    1.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9597   -2.0882    1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605   -2.8752   -0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105   -1.4359   -1.8196 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