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
   -3.2437   -0.4178   -0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -1.3547    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462   -0.7780   -0.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7306    0.5029    0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    1.0727    1.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208    1.1851    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7101    2.3843    0.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    0.5522   -0.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455   -0.2467    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213   -0.3659    1.4535 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -0.9357   -0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9915   -0.9922   -1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7303    0.1984    0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585    0.3022   -1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030   -2.3738   -0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3555   -1.3122    1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6421    2.8875    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0606    2.8970    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683   -0.1587   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2666   -1.3743    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457   -1.6725   -1.2151 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