Monomers

2-Propenoic acid, 2-(acetyloxy)-, ethyl ester

Identifiers

IUPAC name
ethyl 2-acetyloxyprop-2-enoate
InchI
InChI=1S/C7H10O4/c1-4-10-7(9)5(2)11-6(3)8/h2,4H2,1,3H3
InchI Key
UMSUVRQADXVIDD-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)OC(=O)C
Canonical SMILES
CCOC(=O)C(=C)OC(=O)C
Isomeric SMILES
CCOC(=O)C(=C)OC(=O)C
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
0.6263
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
   -3.4382    0.2144   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2955    1.1727   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0376    0.5512   -0.1125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -0.3271    0.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5654   -0.5753    1.7529 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155   -0.9760    0.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8754   -1.8124    1.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6112   -0.7335    0.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491    0.2768    0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826    1.0078    1.1864 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    0.4600   -0.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031    0.2533    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005    0.4577   -1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229   -0.8335   -0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700    1.8146    0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2798    1.8071   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176   -2.0388    2.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8355   -2.2912    2.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1632    0.2596   -1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4107   -0.2162   -0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767    1.5288   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  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
  2 15  1  0
  2 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