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
-2.6790 -1.3747 1.0919 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8647 -1.3491 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3765 -2.4433 -0.4413 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6441 -0.0401 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6420 0.7791 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0693 1.9504 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7201 0.4008 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4746 1.2354 0.7846 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3592 -0.7337 -0.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7621 -0.9125 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3718 -0.1816 -1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6455 0.4574 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0956 2.2845 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4032 2.6237 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3061 0.0710 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2509 -1.5978 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9185 -1.1694 1.0591 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