Monomers

Methyl 4-[(2-methylacryloyl)oxy]benzoate

Identifiers

IUPAC name
methyl 4-(2-methylprop-2-enoyloxy)benzoate
InchI
InChI=1S/C12H12O4/c1-8(2)11(13)16-10-6-4-9(5-7-10)12(14)15-3/h4-7H,1H2,2-3H3
InchI Key
MXEKGCYXPNIRFV-UHFFFAOYSA-N
SMILES
COC(=O)c1ccc(cc1)OC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C(=O)OC
Isomeric SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C(=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
   -5.8502   -0.7757    0.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4727   -0.7423    0.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6790    0.3605    0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1539    1.4249    0.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620    0.3202    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6819   -0.8210   -0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581   -0.8502   -0.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4513    0.2598   -0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1261    1.4045   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560    1.4280    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    0.1852   -0.9949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7078   -0.1964   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3114   -0.4595    1.1148 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051   -0.2931   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065   -0.0143   -1.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939   -0.7072    0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2549    0.2111    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9148   -1.4800    1.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3777   -1.2346   -0.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3016   -1.6930   -0.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0405   -1.7927   -1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008    2.2972   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.3400    0.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5568   -0.0870   -1.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968    0.2837   -2.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366   -1.4950    1.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3611    0.1540    1.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9665   -1.1509    0.1003 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
  8 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
  9 22  1  0
 10 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