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
   -1.3847    1.7824    0.0769 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6901    0.7980    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247    1.1057    2.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100   -0.6286    0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740   -0.8961   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -1.7354   -1.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6771   -0.2379   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600   -0.4202   -1.6899 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    0.6492    0.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    1.3386    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6742   -0.8732    1.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2386   -1.2346    0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876   -2.2475   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5411   -1.9669   -2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840    2.1725    0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302    1.7644   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.6298    0.3772 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