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
-2.1604 2.2212 -1.5298 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5211 1.3640 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8957 1.8697 0.3103 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5497 -0.0936 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7726 -0.7534 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3872 -1.5987 1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6500 -0.4721 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 -1.0577 1.4003 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3568 0.3920 -0.3318 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7224 0.6655 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5734 -0.4707 -0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1043 -0.3738 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8712 -2.0997 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4358 -1.8025 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0801 0.2981 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8504 1.7677 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3672 0.1439 -0.9063 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