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
    2.6193    3.7283    1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6322    2.7628    1.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8403    1.6508    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827    1.4819   -0.1365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7245    0.7542    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206    1.0365    0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -0.4756   -0.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4389   -1.2420   -0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0949   -1.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5779   -1.8580   -1.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7481   -2.8203   -0.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7788   -3.0023    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6506   -2.2106    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162    4.6063    0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756    4.1012    2.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    3.3148    1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116    1.9225    1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815    0.4010    0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5879   -1.1116   -0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248   -0.2541   -1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922   -0.3588   -2.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3459   -1.7365   -2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6194   -3.4387   -0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377   -3.7652    1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0903   -2.3919    1.0322 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