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
    4.7940    0.2428   -0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4070    0.3517   -0.6989 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -0.0813    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463   -0.5843    1.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0166    0.0241   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994    0.5481   -1.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443   -0.4606    0.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3503   -0.2795    0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559    0.8690    0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3722    1.0499    0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0052    0.0584   -0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3199   -1.1163   -0.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097   -1.2624   -0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3479    0.2218   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562    1.1454    0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0282   -0.6429    0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976    0.9001   -1.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4472    0.6293   -1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2669   -1.5273    1.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329    0.1134    1.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5887    1.6638    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9131    1.9523    0.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0361    0.2203   -0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8723   -1.8526   -1.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5015   -2.1832   -0.4480 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