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
    3.6126    1.1493   -1.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942    0.4752   -0.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736   -0.1723   -0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198   -0.1487   -1.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1474   -0.8638    0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7881   -0.8527    1.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1551   -1.5616    0.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642   -0.6579    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039   -0.5482   -1.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522    0.3340   -1.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    1.1002   -0.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9105    0.9835    0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804    0.1150    1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    1.5194   -2.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1528    2.0517   -1.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3311    0.4387   -1.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7286   -0.3586    1.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613   -1.3490    2.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337   -1.9996    1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0148   -2.3755   -0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911   -1.1095   -1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1304    0.4499   -2.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    1.7789   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3787    1.5792    1.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254    0.0224    2.0811 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