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
   -2.8046    2.0333    0.0692 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8890    1.0102    0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592    0.8675    1.3498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304    0.0989   -0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319   -0.8911   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912   -2.1741   -0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7852   -0.4678    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225   -1.3210    0.4971 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1492    0.8582    0.1878 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    1.1843    0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952    0.6767   -1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4302   -0.4440   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844   -2.9103   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400   -2.5038   -0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.2565    1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038    0.5871    1.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027    1.1394   -0.0844 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