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
   -5.9042   -0.4159    0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5054   -0.1725    0.8773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7462   -0.1418   -0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3393   -0.3403   -1.3664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2970    0.1122   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6202    0.3324    0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560    0.5652    0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377    0.5811   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379    0.3628   -1.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918    0.1313   -1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8085    0.8268   -0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -0.1813   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059   -1.3578   -0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    0.1032    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6738    1.3218   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441   -1.0151    0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1195   -1.3181    1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4837    0.4595    1.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2677   -0.6552   -0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725    0.3180    1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450    0.7363    1.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2990    0.3742   -2.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291   -0.0423   -2.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356    2.1305   -0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    1.4944    0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347   -1.9670   -0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9243   -0.8692   -0.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6132   -0.9643    1.1626 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