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
   -2.7408   -1.7823    0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8269   -0.7174    0.7507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423    0.5186    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759    0.6461   -0.4009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0953    1.6016    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186    2.7347   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2009    1.4830    0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1032    0.4533    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076    0.5964   -0.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.3904   -1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8202   -1.5982   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0299   -1.7672    0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908   -0.7491    1.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4267   -1.7737    1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2812   -1.8690   -0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465   -2.7330    0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814    2.8044   -0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7549    3.5963   -0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7866    2.4489    0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532    1.3157    1.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532    1.5251   -1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925   -0.3014   -2.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893   -2.3712   -0.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053   -2.7174    1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032   -0.9536    1.9295 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