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
-1.4887 -1.5685 -0.4150 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8773 -0.8930 0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6300 -1.4393 1.5397 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 0.4789 0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5126 0.9600 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8375 2.0269 -0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7357 0.2697 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4739 0.6907 -1.3836 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1461 -0.8597 0.2257 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3649 -1.4720 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8029 0.5408 1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2805 1.1577 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2297 2.4213 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7508 2.5406 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7283 -1.1086 -1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1364 -1.1858 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2172 -2.5596 -0.1503 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