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
-3.3381 -1.1874 -1.1447 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.7633 -0.4786 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4272 0.3234 0.5671 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3335 -0.6620 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5109 0.4280 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0677 1.4004 -1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9259 0.4388 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6096 1.3640 -0.6954 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5955 -0.5432 0.5163 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9883 -0.5562 0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0204 -1.6638 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1452 -0.7517 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1375 1.3786 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 2.2050 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2430 -0.4568 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5047 0.2660 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3687 -1.5046 0.2796 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