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
    4.7455   -0.4645    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3946   -0.7564   -0.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4179    0.1833    0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061    1.2297    0.8373 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0159   -0.0724   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686   -1.1755   -0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.9582    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.5658    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9357    0.9061   -1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2373    0.5255   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9972   -0.2089   -0.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -0.5431    0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177   -0.1693    0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3736   -1.3760    0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1032    0.2424   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407    0.0935    1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4232   -1.8816   -0.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654   -1.3730   -0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1288    1.2161    1.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118    1.8928   -0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491    1.4837   -1.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7027    0.7887   -2.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0086   -0.4986   -0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0132   -1.1207    1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6699   -0.4457    1.8672 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