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
2.1007 1.3896 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 0.6669 0.2008 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8797 -0.6843 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0353 -1.2067 -0.3299 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2485 -1.5628 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5143 -1.3439 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2019 -0.1275 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4754 -0.0750 0.4634 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5157 1.0373 0.5186 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5508 1.3897 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9380 2.4570 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8122 0.9819 0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0229 -2.6327 -0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 -2.2191 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9916 1.9299 0.3165 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