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
   -2.3852    0.4206    2.3493 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6326    0.7536    1.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    1.7305    1.2940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7411   -0.0518    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5563   -0.9143   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466   -2.2107   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806   -0.3786   -0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7541   -1.1451   -0.5448 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446    0.9769   -0.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711    1.4919   -0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489   -0.6786    0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9388    0.5885   -0.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385   -2.6034   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261   -2.8422   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.0850   -1.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3106    2.5804   -0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968    1.1975    0.3779 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