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
   -3.4555   -0.0215   -0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616   -0.3926    1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5965    0.2626    1.0967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5901    0.0269    0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936   -0.7924   -0.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7095    0.6804    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262    1.5338    1.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142    0.4369   -0.6563 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610   -0.5768   -0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316   -1.2459    0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7427   -0.8385   -1.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1981   -0.8312   -1.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0553    0.9553   -0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5474    0.1024   -0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5130    0.0672    1.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992   -1.4682    1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1574    1.7629    1.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820    2.0232    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210   -0.1707   -1.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711   -1.8839   -1.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3936   -0.6283   -2.4920 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