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
-2.6404 -1.9934 -0.6570 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.6470 -1.4650 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7041 -2.2307 0.4739 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6329 -0.0671 0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7266 0.8210 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2141 1.8965 -0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7005 0.5460 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4722 1.3238 -0.8792 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3177 -0.5544 0.3522 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7268 -0.7704 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4401 -0.0192 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6828 0.3013 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2569 2.1595 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5414 2.5340 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8689 -1.8415 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1337 -0.1752 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 -0.4651 1.1063 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