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
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
-2.7382 2.1616 -0.3385 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8284 1.1707 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2161 1.1645 1.0679 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5766 0.0790 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5923 -0.8952 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 -2.1543 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7641 -0.5126 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 -1.3809 0.2404 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2288 0.7890 -0.2785 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5737 1.1407 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5422 -0.3888 -1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 0.5718 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 -2.8823 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9540 -2.5096 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3032 0.7655 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 2.2382 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7998 0.6427 1.0326 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