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
   -2.5879    1.1243   -1.9434 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5460    0.4064   -1.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4568    0.2826   -2.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340   -0.2117   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113   -0.9434    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6095   -2.2358    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664   -0.2590    0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607   -0.9293    0.8845 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459    1.0933    0.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1884    1.7468    0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9821    0.6293    0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5757   -0.9232   -0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5425   -2.7707    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772   -2.7659    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556    2.1049    1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    1.0230    0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785    2.6284   -0.2309 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