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
-3.2354 2.0730 0.4831 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.6803 0.7919 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4785 -0.1437 0.2688 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2458 0.7108 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 -0.5940 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1778 -1.7538 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8635 -0.5638 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5131 -1.6249 -0.3675 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5633 0.6269 -0.1312 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9728 0.6586 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7389 1.1161 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.3596 -0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5704 -2.6554 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2251 -1.9046 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3333 -0.3604 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1818 0.8183 -1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4062 1.4455 0.3678 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