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
-1.0616 1.4390 -1.1758 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.6558 1.3359 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3248 2.2762 0.5058 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5001 0.0897 0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6668 -0.9031 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1971 -2.0603 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7128 -0.6124 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 -1.4338 -0.8878 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2498 0.6108 0.0467 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5692 1.0068 -0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4814 -0.3304 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9576 0.3123 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6264 -2.8027 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 -2.2789 0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3223 0.3096 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6659 1.0229 -1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7261 2.0184 0.1605 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