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
-1.4514 2.1802 0.1731 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.2838 1.2378 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4000 1.5986 -0.8416 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9608 -0.2092 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6367 -0.5292 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5675 -1.3804 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 0.0474 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5437 0.8521 -1.3593 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7978 -0.2870 0.1528 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0440 0.2302 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7347 -0.7444 0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0734 -0.5725 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3818 -1.6456 1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4839 -1.8110 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8433 -0.5600 -0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3364 1.0043 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0501 0.5887 -1.3007 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