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
    2.5241    1.0228    2.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6114    0.2081    1.4440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910   -0.5143    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1913   -0.3979   -0.0248 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215   -1.3680   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -2.0063   -1.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135   -1.5984   -0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486   -0.4015   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580    0.0197   -1.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455    1.1503   -1.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7296    1.8436   -0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2191    1.4156    0.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243    0.2820    0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5712    0.8946    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828    2.0954    2.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5482    0.7023    3.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -2.6685   -2.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   -1.8928   -1.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256   -2.0013    0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300   -2.4322   -0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4510   -0.5048   -2.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    1.4928   -2.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3437    2.7199   -0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4315    1.9489    1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0551   -0.0100    1.9655 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