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
    3.5401    1.5508    0.7356 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.8930    0.6590   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5822   -0.3271   -0.5032 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939    0.8840   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420   -0.0169    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538   -0.9026    0.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.0870   -0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3028    0.9300   -1.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8401   -0.7309    0.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149   -0.5873    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220    0.7262   -1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2480    1.9447   -0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -1.5872    1.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060   -0.9676    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6472    0.3641    0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747   -1.4568    0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2809   -0.5695   -1.1029 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