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
    4.4165    0.6793   -1.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    0.5576   -0.9244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -0.5390   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456   -1.4782   -0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209   -0.6432   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5506   -1.7173    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1945    0.5108   -0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2294    0.3623   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029    0.7984    1.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0257    0.7035    1.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9194    0.1467    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4620   -0.3043   -0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1266   -0.1931   -1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797    1.7085   -1.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7439   -0.0281   -1.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9830    0.5736   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4963   -1.8582    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236   -2.5137    0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210    0.7340   -1.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    1.4052    0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263    1.2504    1.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3479    1.0615    2.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9550    0.0743    0.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2114   -0.7303   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8401   -0.5607   -2.0442 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