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
    3.2268    0.9208   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    0.1138   -0.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277   -0.5335   -1.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356   -0.3578   -2.3463 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3416   -1.3707   -1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064   -1.9577   -2.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3851   -1.5977    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9337   -0.3898    0.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512    0.0812    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365    1.2031    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1209    1.8693    1.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9150    1.3949    2.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032    0.2660    1.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.9118    0.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8669    1.9653   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8693    0.5790   -1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098   -1.8110   -3.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843   -2.5785   -2.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614   -2.0219    0.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506   -2.4110   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6602   -0.4278   -0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    1.5589    0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6068    2.7414    2.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445    1.9260    3.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -0.0740    2.1538 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