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
   -2.8214    1.6435   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554    0.6524   -0.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9667   -0.6643   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9502   -1.0210    0.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9772   -1.6295   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1294   -2.8896   -0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2008   -1.2236   -1.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0593   -0.2161   -0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0439    1.1086   -0.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707    2.0180   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385    1.6128    0.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757    0.2722    0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9475   -0.6054    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9749    1.5281    0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4137    2.6389   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7902    1.4586   -0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930   -3.1511    0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.6742   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1143   -0.7906   -2.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660   -2.1409   -1.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3744    1.4529   -1.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7964    3.0421   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866    2.3022    1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4531   -0.0779    1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0068   -1.6463    0.6218 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