Monomers
Monomethyl maleate
Identifiers
IUPAC name
(Z)-4-methoxy-4-oxobut-2-enoic acid
InchI
InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
InchI Key
NKHAVTQWNUWKEO-IHWYPQMZSA-N
SMILES
COC(=O)/C=C\C(=O)O
Canonical SMILES
COC(=O)C=CC(=O)O
Isomeric SMILES
COC(=O)/C=C\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H6O4
Heavy Atom Count
9
Molecular Weight
130.099
Exact Molecular Weight
130.0266
Valence Electrons
50
Radical Electrons
0
tPSA
63.6
MolLogP
-0.1998
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
2.4326 0.6177 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1412 0.3319 0.3858 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7110 -0.9529 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6188 -1.8350 0.3801 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5639 -1.3977 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6215 -0.7394 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7877 0.6990 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9158 1.4856 -0.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0182 1.2945 -0.9319 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1675 0.5072 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7710 -0.0479 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4758 1.6989 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6547 -2.5079 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5069 -1.3323 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2493 2.1784 -0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
6 7 1 0
7 8 2 0
7 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
5 13 1 0
6 14 1 0
9 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers