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
    4.8207   -0.0692    0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5007    0.3133    0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753   -0.3761    0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462   -1.3882    1.1674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204   -0.0021    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508    1.0607   -0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009   -0.7724    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -0.3468    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1487    0.5352    0.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4330    0.9455    0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9921    0.4465   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2852   -0.4398   -1.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -0.8348   -0.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1593   -0.8722   -0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852    0.8126    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -0.3320    1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279    1.4204   -0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    1.6022   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -1.8366    0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467   -0.8097    1.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644    0.8905    1.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9548    1.6434    1.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0011    0.7693   -0.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7255   -0.8275   -2.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039   -1.5324   -1.6002 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