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
   -4.0402   -0.3326   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6582   -0.8180    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882   -0.0562   -0.4228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560   -0.4001   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0718   -1.3556    0.5347 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339    0.3064   -0.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446    1.2998   -1.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0428   -0.0776   -0.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8336    0.4318    0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337    1.2972    1.1086 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2379   -0.0104    0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9940    0.7337   -0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4563   -0.9146   -0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6843   -0.3433    0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.7931    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -1.8744   -0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681    1.5869   -1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340    1.8306   -2.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6079   -0.3729   -0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8636    0.7596    1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1791   -0.8975    1.2471 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