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
-3.4544 0.2902 -1.2193 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9439 -0.4250 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6592 -0.6451 0.8421 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5657 -0.9281 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5291 0.1302 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 1.3967 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8621 -0.2334 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1864 -1.4601 -0.1883 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9018 0.6826 -0.1436 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2378 0.1996 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3745 -1.6794 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 -1.4288 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9199 1.7462 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1200 2.1790 -0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 -0.4895 -0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3440 -0.3457 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9688 1.0106 -0.2114 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