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
    4.7676    0.2185    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    0.5127    0.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3906   -0.4373    0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.6400    0.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997   -0.0662    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    1.1785   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0283   -1.1118    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4033   -0.5927    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9940   -0.5254   -1.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2850   -0.0305   -1.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9737    0.3819   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    0.3078    1.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0762   -0.1855    1.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3485    0.6351   -0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9764   -0.8711    0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1411    0.6073    1.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130    1.9462   -0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742    1.4877   -0.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1168   -1.5873    1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728   -1.9238   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4639   -0.8470   -2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7361    0.0155   -2.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9929    0.7671   -0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770    0.6261    1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628   -0.2599    2.0906 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