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
   -2.9698   -1.5248   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9671   -0.5780   -0.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    0.7347    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907    1.1602    0.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185    1.6371   -0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0404    2.9104    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2989    1.2735   -0.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1168    0.2247   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    0.5175    0.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8245   -0.4389    1.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7061   -1.7442    0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -2.0776   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070   -1.0972   -0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356   -2.3538    0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8609   -1.0001    0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2821   -1.9599   -0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023    3.2626    0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2751    3.6539   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744    0.9840   -2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391    2.1738   -1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1681    1.5356    0.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5503   -0.1896    2.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2919   -2.5420    1.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -3.1135   -0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -1.4483   -1.4676 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