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
    2.2233    1.7182    1.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5068    0.6257    1.2372 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0127   -0.1273    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1704    0.2213   -0.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763   -1.2422   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9831   -1.8775   -1.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.7095   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007   -0.6813   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4331    0.0425    0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4148    1.0330    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9868    1.3197   -0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5542    0.5970   -1.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5894   -0.3796   -1.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4453    2.3966    2.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988    2.2755    1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898    1.3920    2.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5373   -2.7187   -1.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743   -1.5872   -1.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456   -2.0453    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537   -2.6435   -0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011   -0.1732    1.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7504    1.5989    1.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    2.0761   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0143    0.8294   -2.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2561   -0.9406   -2.2640 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