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
   -2.6872    1.9350   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7736    0.9325    0.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0118   -0.4235    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1601   -0.7425   -0.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0764   -1.4642    0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394   -2.7246    0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458   -1.1724    1.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1322   -0.3759    0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503   -0.9013   -0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609   -0.1069   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7543    1.2362   -1.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471    1.8171   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390    0.9767    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1767    2.3576    0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4597    1.5153   -0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1287    2.7526   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7760   -3.5533    0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -2.9991   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975   -2.1350    1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547   -0.6142    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940   -1.9468   -1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344   -0.5476   -2.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872    1.8551   -1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    2.8714   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881    1.4577    1.3040 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