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
-0.6322 2.4291 1.1114 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5058 1.4455 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 1.8087 -0.1863 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4136 0.0326 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7581 -0.8456 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3539 -1.8926 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6033 -0.5370 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1655 -1.2736 -1.1196 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2922 0.5508 0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6069 0.7691 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4251 -0.3525 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7756 0.0158 2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9170 -2.5528 -1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3620 -2.0989 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0065 1.6566 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6528 0.9877 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2000 -0.1428 0.0488 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