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
-2.3827 2.2036 0.2709 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.2283 1.5925 0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1654 2.2446 0.7706 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3299 0.1801 1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8748 -0.6832 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7153 -1.5482 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4638 -0.5893 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8727 -1.3333 -1.4017 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4263 0.2953 0.0322 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7472 0.3490 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3638 -0.0453 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5945 0.0210 2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7116 -1.6082 -0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 -2.2154 -1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3026 -0.5971 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2747 1.1392 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7373 0.5946 -1.5909 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