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
   -2.7684   -1.2452   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9122   -0.5287   -0.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7836    0.8466   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5055    1.3836   -1.3686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180    1.6499    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955    2.9521    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1088    0.9840    1.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469   -0.0069    0.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529   -1.3653    0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238   -2.2313    0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.7055   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202   -0.3488   -0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0430    0.4829    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7918   -1.2200   -0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7869   -0.8230   -2.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4731   -2.3093   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640    3.6266    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4943    3.4328   -0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601    0.4702    2.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4594    1.7764    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2544   -1.7881    1.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -3.3057    0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5809   -2.3509   -0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9485    0.0681   -0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2467    1.5558    0.3434 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