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
    3.1181   -2.2799   -1.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8537   -0.9878   -0.9769 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6259   -0.6399   -0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7165   -1.5066   -0.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    0.7139    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3943    1.6537    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    2.9349    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9868    3.2840    1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    2.3389    1.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1678    1.0588    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840    0.1252    0.6820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7830    0.0277   -0.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5754    0.8213   -1.3429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8855   -0.9134   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6871   -0.9388   -1.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0858   -1.8288    0.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.6084   -2.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307   -2.2264   -2.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110   -3.0264   -0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696    1.4156   -0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0274    3.6679    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114    4.2839    1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9702    2.5681    1.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144   -0.2647   -2.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299   -1.6100   -1.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990   -1.2348    1.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -2.6532    0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1280   -2.1749    0.7343 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