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
-3.2570 -0.3944 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8936 -0.8077 0.3648 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9117 0.0978 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2415 1.2759 -0.2196 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5014 -0.2328 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4339 0.6580 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8501 0.3645 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6607 1.2754 -0.3669 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3392 -0.8834 0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2914 0.6333 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9246 -1.0686 0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5822 -0.2758 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8459 -1.2244 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1265 1.6561 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3442 -1.0741 0.3595 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