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
    3.8047    0.7208    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0135   -0.2646    0.4612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959    0.0517   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    1.2635   -0.0982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870   -0.9652   -0.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400   -2.2184   -0.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983   -0.6628   -1.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3248   -0.0908   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0825   -0.9313    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0322   -0.3421    1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2211    1.0272    1.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4649    1.8636    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5027    1.2700   -0.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4525    0.3017    1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4070    1.2141    0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    1.5434    1.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3608   -2.5053   -0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632   -3.0164   -1.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6568   -1.5924   -1.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281    0.0505   -2.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8970   -1.9889    0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6206   -1.0235    1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9723    1.4543    1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6402    2.9079    0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180    1.9331   -1.1884 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