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
    4.4483   -1.1754   -0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1061   -0.9587   -0.4132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3019    0.0165   -1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8419    0.7148   -1.8900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9185    0.2253   -0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.1623   -1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.5913    0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1463   -0.1841    0.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4568    0.7947    1.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676    1.1813    1.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8179    0.6227    1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5093   -0.3572    0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985   -0.7489   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6716   -2.2122   -1.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0631   -0.9775    0.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8232   -0.4433   -1.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516    1.7886   -2.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7955    1.3205   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8028   -0.3763    1.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3159   -1.6771    0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6671    1.2695    2.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9462    1.9617    2.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8399    0.9590    1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3178   -0.7963   -0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656   -1.5187   -0.8386 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