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
    3.4064    0.7504    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8899   -0.6473    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6227   -0.8037    0.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5441   -0.1043    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7722    0.6488   -0.8453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7592   -0.2745    0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -1.0735    1.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235    0.4257    0.2178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6484   -0.0379   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4395   -1.1570   -1.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7541    0.8685   -1.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8770    1.3758    0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5008    0.7367    0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2816    1.1931   -0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9523   -1.0557   -0.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5928   -1.2901    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9269   -1.1971    2.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535   -1.6577    2.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3369    1.1160   -0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3600    0.3765   -2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2870    1.8073   -1.5723 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