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
-2.9664 -0.6224 -1.4456 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.1203 -1.2590 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6364 -2.3718 -0.8465 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7993 -0.6244 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 0.3235 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8857 1.5732 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.1493 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8220 -1.3409 -0.0868 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6969 0.7380 0.1995 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9820 0.3618 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7473 -0.1715 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5368 -1.4158 1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8285 1.9840 1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 2.2501 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5763 1.2319 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9494 -0.4644 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6002 -0.0431 0.6392 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