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
   -4.7499   -0.6094    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3605   -0.6247    0.3291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    0.0343   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8572    0.7143   -1.4181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -0.0340   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528   -0.7341    0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0447    0.6940   -1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3479    0.4654   -0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -0.5923   -0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800   -0.8004   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408    0.0503    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100    1.1139    0.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    1.2949    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1377   -1.6038    0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0245   -0.4194   -0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1808    0.1374    0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2435   -1.2650    1.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910   -0.7896    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1143    0.2750   -2.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835    1.7790   -1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446   -1.2501   -1.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9783   -1.6157   -0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9515   -0.1273    0.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6648    1.7759    1.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3635    2.1311    0.7928 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