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
    2.4627    0.7124   -2.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6142   -0.0597   -1.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418   -0.6091   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850   -0.4213    0.3777 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -1.3925    0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540   -1.9021    1.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4044   -1.6753    0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1210   -0.3870    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2930    0.1379   -1.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9535    1.3517   -1.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344    2.0227   -0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2579    1.4872    0.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151    0.3034    1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361    0.2159   -3.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699    1.6924   -2.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149    0.9898   -1.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543   -2.4829    2.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696   -1.7045    2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3646   -2.2445   -0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482   -2.2939    0.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -0.3532   -2.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0974    1.7834   -2.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9611    2.9756   -0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342    2.0051    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4569   -0.1514    2.1205 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