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
    2.8956   -1.0327   -0.9893 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.7250   -1.1875   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032   -2.0202   -0.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4512   -0.3856    0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046    0.7985    0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0575    2.0089    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480    0.6500    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4413    1.6590   -0.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255   -0.6369   -0.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5102   -0.8711   -0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220   -1.0361    1.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3832   -0.0149    1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589    2.8614    0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460    2.1401    1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6756   -0.2776   -1.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475   -1.9686   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2991   -0.6866    0.0457 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