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
-2.2512 1.4059 -1.9635 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5268 1.3073 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7154 2.2202 -0.5399 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6943 0.1804 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6454 -0.8568 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0502 -2.0677 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -0.5759 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5931 -1.5013 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1481 0.6840 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5375 0.9623 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6705 -0.2993 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7412 0.5215 1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1099 -2.3076 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 -2.8307 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9233 0.3930 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6232 2.0383 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0935 0.7265 -0.2498 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