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
-2.7291 1.8716 -0.0796 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.6406 1.2110 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7505 1.9850 -1.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5488 -0.2633 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6724 -0.7981 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1836 -1.6252 1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7147 -0.4186 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4486 -0.8573 1.3881 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2617 0.4427 -0.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6014 0.8189 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1543 -0.6170 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5520 -0.6845 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2285 -1.9088 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5406 -1.9977 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1408 0.3375 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1797 0.5910 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6536 1.9130 -0.2440 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