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
    4.0298   -1.2155    0.4734 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.9347   -0.3527    0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567    0.6147    1.4549 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -0.6762    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136    0.1768    0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4696    1.2355    0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7336   -0.2350   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8100   -1.2435   -1.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879    0.5185   -0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0984    0.1728   -0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581   -0.8439   -1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971   -1.7337    0.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779    1.6447    1.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4715    1.7935    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9124    0.7346   -0.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469    0.3203   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423   -0.9109   -0.7677 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