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
    4.3018    0.2422   -1.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9279    0.2316   -1.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4442   -0.6280   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2668   -1.4131    0.4971 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -0.5871    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833   -1.4036    1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1762    0.3922   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2228    0.3493    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    1.1628    1.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8997    1.2052    1.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8611    0.4076    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4944   -0.4213   -0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.4461   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7808   -0.7304   -1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4051    0.5223   -2.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    1.0294   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2632   -2.0861    1.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470   -1.4060    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2290    0.1774   -1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016    1.3972   -0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723    1.8191    1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1279    1.8737    2.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8732    0.4398    1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793   -1.0315   -0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215   -1.0967   -1.3826 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