Monomers

Methyl 2-[(2-methylacryloyl)oxy]benzoate

Identifiers

IUPAC name
methyl 2-(2-methylprop-2-enoyloxy)benzoate
InchI
InChI=1S/C12H12O4/c1-8(2)11(13)16-10-7-5-4-6-9(10)12(14)15-3/h4-7H,1H2,2-3H3
InchI Key
HXJOEIGJQKRHFE-UHFFFAOYSA-N
SMILES
COC(=O)c1ccccc1OC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OC1=CC=CC=C1C(=O)OC
Isomeric SMILES
CC(=C)C(=O)OC1=CC=CC=C1C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H12O4
Heavy Atom Count
16
Molecular Weight
220.224
Exact Molecular Weight
220.0736
Valence Electrons
84
Radical Electrons
0
tPSA
52.6
MolLogP
1.9547
H Bond Acceptors
4
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

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.8538   -2.2837    1.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7288   -1.0539    0.9150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317   -0.7140    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076   -1.5373    0.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557    0.5644   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5193    1.4432   -0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117    2.6595   -1.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376    3.0018   -1.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1654    2.1109   -1.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813    0.8992   -1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.0026   -1.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6620    0.1160    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4874    1.0148    0.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079   -0.7693    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9954   -1.7157   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7351   -0.6180    1.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5770   -2.2092    2.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810   -2.6551    1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083   -3.0098    0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    1.1466    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2449    3.3467   -1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470    3.9533   -2.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728    2.3386   -2.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3348   -1.8386   -1.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8317   -2.3678   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0330    0.4386    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2619   -1.0837    2.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6829   -1.1751    1.1420 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  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 14 16  1  0
 10  5  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  6 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
 15 24  1  0
 15 25  1  0
 16 26  1  0
 16 27  1  0
 16 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers