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
   -3.1069    2.0057    1.1359 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6184    0.8942    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640    0.1731   -0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995    0.6929    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6372   -0.4413   -0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596   -1.3810   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400   -0.5401   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753   -1.4926   -0.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5741    0.3942    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0043    0.2832    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7369    1.6220   -0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8133    0.6536    1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3168   -1.4247   -1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7177   -2.1750   -1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259   -0.5627   -0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4588    1.2294    0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2919    0.0693    1.4401 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