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
    1.6087    1.8938   -3.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7122    1.8497   -1.6690 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2995    0.7107   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -0.2249   -1.6504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4078    0.6710    0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8965    1.7131    1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816   -0.5091    1.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392   -0.8714    1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -0.2079    1.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7274   -0.5985    1.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470   -1.6160    0.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0951   -2.2860    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7682   -1.8867    0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    2.7634   -3.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    0.9939   -3.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285    1.9363   -3.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108    2.5787    0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869    1.7096    2.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6267   -1.3605    0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393   -0.3333    2.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986    0.5731    2.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -0.0881    2.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0809   -1.8944    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216   -3.0889   -0.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185   -2.4278   -0.3290 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