Monomers

3-Methoxycarbonylbut-3-enoate

Identifiers

IUPAC name
3-methoxycarbonylbut-3-enoate
InchI
InChI=1S/C6H8O4/c1-4(3-5(7)8)6(9)10-2/h1,3H2,2H3,(H,7,8)/p-1
InchI Key
KBFJHOCTSIMQKL-UHFFFAOYSA-M
SMILES
[O-]C(=O)CC(=C)C(=O)OC
Canonical SMILES
COC(=O)C(=C)CC(=O)[O-]
Isomeric SMILES
COC(=O)C(=C)CC(=O)[O-]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7O4-
Heavy Atom Count
10
Molecular Weight
143.118
Exact Molecular Weight
143.035
Valence Electrons
56
Radical Electrons
0
tPSA
66.43
MolLogP
-1.1444
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

 17 16  0  0  0  0  0  0  0  0999 V2000
   -3.7758   -1.6585   -0.8345 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.8740   -0.8900   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3150   -0.3376    0.9192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5142   -0.7982   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5464   -0.0097    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.6624    1.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8202    0.0208   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943   -0.6059   -1.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707    0.7378    0.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017    0.7808   -0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -1.8735   -0.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5075   -0.4457   -1.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6888    0.7685    1.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0559    1.2300    1.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0944    1.1246   -1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046   -0.2389   -0.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609    1.5332    0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
 10 15  1  0
 10 16  1  0
 10 17  1  0
M  CHG  1   1  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers