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
   -3.9048   -1.0463    0.9828 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9490   -0.1376    0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4161    0.9769    0.1768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -0.6277    0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530    0.2270   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    1.4564   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8259   -0.3541   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -1.5347    0.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8654    0.3886   -0.7896 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823   -0.1178   -0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6436   -1.6012   -0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105   -1.0137    1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155    2.0605   -0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499    1.9566   -0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2051   -1.2106   -1.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7149    0.1181    0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948    0.4596   -1.6800 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