Monomers

Methyl 2-(acetoxymethyl)acrylate

Identifiers

IUPAC name
methyl 2-(acetyloxymethyl)prop-2-enoate
InchI
InChI=1S/C7H10O4/c1-5(7(9)10-3)4-11-6(2)8/h1,4H2,2-3H3
InchI Key
IMOQCGSCOCUDGV-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)COC(=O)C
Canonical SMILES
CC(=O)OCC(=C)C(=O)OC
Isomeric SMILES
CC(=O)OCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O4
Heavy Atom Count
11
Molecular Weight
158.153
Exact Molecular Weight
158.0579
Valence Electrons
62
Radical Electrons
0
tPSA
52.6
MolLogP
0.2787
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.5663    1.1565    1.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6426    0.2795    1.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5447    0.2765   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2974    1.0678   -1.0121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205   -0.5942   -1.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5819   -0.5437   -2.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2753   -1.5334   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582   -0.8828    0.4915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    0.0740    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832    0.3215   -1.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    0.7488    1.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5016    0.6075    1.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330    1.6695    2.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8557    1.9643    0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362    0.1422   -2.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041   -1.1896   -2.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639   -2.1945    0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698   -2.2117   -1.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5819   -0.0515    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120    1.4526    1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7631    1.2960    0.4350 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  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers