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
-3.4875 0.2048 0.4766 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.7052 0.4186 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2859 0.7472 -1.6836 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2596 0.2905 -0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5831 -0.1510 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0944 -0.4815 1.7416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8965 -0.2370 0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6060 -0.5992 1.4595 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5195 0.0908 -0.6682 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9408 0.0134 -0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9271 -0.3614 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8719 1.3243 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4156 -0.7925 2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 -0.4993 2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1406 -0.6755 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 1.0153 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3763 -0.3077 0.1738 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