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
    4.4346    0.9957   -0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0221    0.8565   -0.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727   -0.1405    0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   -0.8657    0.8481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -0.3825    0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844   -1.3249    0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732    0.4837   -0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2480    0.1856   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052    0.8253    0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547    0.5789    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9446   -0.3441   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2077   -0.9994   -1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8521   -0.7303   -1.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412    1.7266    0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8071    1.4044   -1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9447    0.0277   -0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529   -1.9161    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -1.5064    1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5153    0.4246   -1.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.5417   -0.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5772    1.5677    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9141    1.1065    1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0009   -0.5188   -0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7191   -1.7218   -1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2969   -1.2743   -2.1085 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