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
-3.5903 -0.4274 0.1924 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.7474 -0.6116 1.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2981 -0.8117 2.3884 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3118 -0.6031 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6133 -0.2329 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1645 0.1599 -1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8746 -0.3017 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4463 -0.6738 1.0412 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6267 0.0273 -1.1039 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0614 -0.0518 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8617 -1.5880 1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9769 0.1580 2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 0.2659 -1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4659 0.4055 -1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4543 0.9475 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4062 -0.8418 -1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3709 -0.2614 -0.0144 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