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
-1.5386 1.9556 0.7402 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.3074 1.2525 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4121 1.7502 -0.4944 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9475 -0.0503 -0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6583 -0.5741 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6093 -1.7311 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6125 0.1545 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6418 1.2687 -1.1134 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8178 -0.3755 -0.1009 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0649 0.2739 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7439 -0.7693 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 0.0342 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3241 -2.1435 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5220 -2.2716 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2960 0.4053 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1253 1.2359 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8366 -0.4154 0.1314 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