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
   -3.2993    0.1363   -0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738    0.7449    0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    0.3855    0.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960    0.6904   -0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688    1.3355   -1.5398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9246    0.3780   -1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    0.8094   -2.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366   -0.2895   -0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0147   -0.8515    0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0212   -0.7853    1.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2307   -1.5524    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8225    0.9361   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7577   -0.4886   -0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0391   -0.4788    0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4144    1.8576    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4755    0.3199    1.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1715    0.6134   -2.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4385    1.3415   -3.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   -1.0781    0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2606   -1.4324    2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -2.5917    0.8232 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