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
    4.7605    0.3223   -0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290    0.1610   -0.4591 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016    0.4705    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885    0.8845    1.5472 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.3229    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7337   -0.1150   -1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0326    0.6733    0.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    0.4750    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0461   -0.7286    0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3285   -0.9116    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9943    0.0994   -0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3396    1.3051   -0.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634    1.4871   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    1.3102    0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828   -0.4393    0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3904    0.2993   -0.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5363   -0.3554   -1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856   -0.2378   -1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    0.0517    1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1452    1.7318    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314   -1.5465    1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8224   -1.8753    0.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0052   -0.0586   -0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8699    2.0930   -1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5447    2.4389   -0.3094 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