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
    3.6597    1.2783    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9169    0.0823    0.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142   -0.0855    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5184    0.8181   -0.8029 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0081   -1.2749    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400   -2.2159    0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1616   -1.4575   -0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2187   -0.4405   -0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3397    0.6173   -1.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374    1.5849   -1.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009    1.4488   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809    0.4022    0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0946   -0.5578    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383    2.0838    0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2430    1.4968    1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.1482   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935   -2.1264    1.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754   -3.1455    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1115   -1.4402   -1.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990   -2.4758   -0.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    0.7712   -2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281    2.4096   -2.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9755    2.2016   -0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7530    0.2671    1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300   -1.3901    1.1349 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